For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[(6S,6aR,10aS)-6H,6aH,7H,8H,10aH-benzo[c]isochromen-6-yl]pyridine
SpectraBase Compound ID 1OGwugk2vMs
InChI InChI=1S/C18H17NO/c1-2-9-15-13(7-1)14-8-3-4-11-17(14)20-18(15)16-10-5-6-12-19-16/h1,3-8,10-13,15,18H,2,9H2/t13-,15-,18+/m1/s1
InChIKey MXRQABCWQWPPBZ-SIIHOXLZSA-N
Mol Weight 263.34 g/mol
Molecular Formula C18H17NO
Exact Mass 263.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8ZDOFeQJkzr
Name 2-[(6S,6aR,10aS)-6H,6aH,7H,8H,10aH-benzo[c]isochromen-6-yl]pyridine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.131014170 u
Formula C18H17NO
InChI InChI=1S/C18H17NO/c1-2-9-15-13(7-1)14-8-3-4-11-17(14)20-18(15)16-10-5-6-12-19-16/h1,3-8,10-13,15,18H,2,9H2/t13-,15-,18+/m1/s1
InChIKey MXRQABCWQWPPBZ-SIIHOXLZSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302328s
Molecular Weight 263.340 g/mol
Quality 235
Reported Formula C18H17NO
SMILES C=1C=CC=2O[C@](C=3N=CC=CC3)([C@]3([H])CCC=C[C@]3([H])C2C1)[H]
SPLASH splash10-001i-0920000000-6132bd55bc393ab79e70
Source of Spectrum JOC-78-1415-11g (DOI: 10.1021/jo302328s)
Thin-Layer Chromatography 0.14 (10% ethyl acetate/hexane)
Wiley ID 1911736