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

*Links on SpectraBase are not permalinks.
2-Propenoic acid, 3-[1,2,3,4,4a,5,6,10b-octahydro-8-methoxy-4-[(4-methylphenyl)sulfonyl]benzo[f]quinolin-3-yl]-, ethyl ester, [3S-(3.alpha.,4a.alpha.,10b.alpha.)]-
SpectraBase Compound ID 776HaTre6RY
InChI InChI=1S/C26H31NO5S/c1-4-32-26(28)16-9-20-8-13-24-23-14-10-21(31-3)17-19(23)7-15-25(24)27(20)33(29,30)22-11-5-18(2)6-12-22/h5-6,9-12,14,16-17,20,24-25H,4,7-8,13,15H2,1-3H3/b16-9+/t20-,24+,25-/m0/s1
InChIKey PEVVBTSTILFHCC-PNQWCKNWSA-N
Mol Weight 469.6 g/mol
Molecular Formula C26H31NO5S
Exact Mass 469.192294 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 HTBMZ9kk9zQ
Name 2-Propenoic acid, 3-[1,2,3,4,4a,5,6,10b-octahydro-8-methoxy-4-[(4-methylphenyl)sulfonyl]benzo[f]quinolin-3-yl]-, ethyl ester, [3S-(3.alpha.,4a.alpha.,10b.alpha.)]-
CAS Registry Number 68323-60-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31NO5S
InChI InChI=1S/C26H31NO5S/c1-4-32-26(28)16-9-20-8-13-24-23-14-10-21(31-3)17-19(23)7-15-25(24)27(20)33(29,30)22-11-5-18(2)6-12-22/h5-6,9-12,14,16-17,20,24-25H,4,7-8,13,15H2,1-3H3/b16-9+/t20-,24+,25-/m0/s1
InChIKey PEVVBTSTILFHCC-PNQWCKNWSA-N
Molecular Weight 469.596 g/mol
SMILES [C@]12(N(S(c3ccc(cc3)C)(=O)=O)[C@@](CC[C@@]1(c1ccc(cc1CC2)OC)[H])(\C=C\C(=O)OCC)[H])[H]
SPLASH splash10-03di-1009000000-69bf118c07baaa34ab83
Source of Spectrum F-34-1024-0
Synonyms Benzo[f]quinoline, 2-propenoic acid deriv. Ethyl (2E)-3-{(3S,4aS,10bR)-8-methoxy-4-[(4-methylphenyl)sulfonyl]-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-yl}-2-propenoate Ethyl .beta.-(n-tosyl-8-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-yl)acrylate
Wiley ID 1392642