Mrv1652304272019312D 14 15 0 0 0 0 999 V2000 3.3000 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 M END > CDB006120 > CDB > CCCCC1=C2C=CN=CC2=CC=C1 > InChI=1S/C13H15N/c1-2-3-5-11-6-4-7-12-10-14-9-8-13(11)12/h4,6-10H,2-3,5H2,1H3 > JMUATOQMJUSBMD-UHFFFAOYSA-N > C13H15N > 185.27 > 185.120449487 > 1 > 29 > 21.91095224452278 > 1 > 0 > 0 > 1 > 5-butylisoquinoline > 3.99 > 3.59217753 > -3.86 > 0 > 2 > 0 > 5.341525895458226 > 12.89 > 59.1955 > 3 > 1 > 2.58e-02 g/l > 5-butylisoquinoline > 1 > CDB006120 > 5-Butylisoquinoline $$$$