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

*Links on SpectraBase are not permalinks.

5,10-(Epithiomethano)-5H-dibenzo[a,d]cycloheptene-11-carboxylic acid, 10,11-dihydro-12-thioxo-, methyl ester, [5S-(5.alpha.,10.alpha.,11.beta.)]-

View entire compound with spectra: 1 MS (GC)

5,10-(Epithiomethano)-5H-dibenzo[a,d]cycloheptene-11-carboxylic acid, 10,11-dihydro-12-thioxo-, methyl ester, [5S-(5.alpha.,10.alpha.,11.beta.)]-
SpectraBase Compound ID 7M6jXRGVxcL
InChI InChI=1S/C18H14O2S2/c1-20-17(19)14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)15(14)18(21)22-16/h2-9,14-16H,1H3/t14-,15-,16-/m0/s1
InChIKey XTQKJSLGKIYQCT-JYJNAYRXSA-N
Mol Weight 326.43 g/mol
Molecular Formula C18H14O2S2
Exact Mass 326.043522 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 IdQaIQ8tOJ3
Name 5,10-(Epithiomethano)-5H-dibenzo[a,d]cycloheptene-11-carboxylic acid, 10,11-dihydro-12-thioxo-, methyl ester, [5S-(5.alpha.,10.alpha.,11.beta.)]-
CAS Registry Number 115474-79-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O2S2
InChI InChI=1S/C18H14O2S2/c1-20-17(19)14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)15(14)18(21)22-16/h2-9,14-16H,1H3/t14-,15-,16-/m0/s1
InChIKey XTQKJSLGKIYQCT-JYJNAYRXSA-N
Molecular Weight 326.428 g/mol
SMILES C1([C@@]2([C@](c3ccccc3[C@](S1)(c1c2cccc1)[H])(C(=O)OC)[H])[H])=S
SPLASH splash10-0006-0922000000-89ab1237f8ca4b10b21a
Source of Spectrum F-43-4963-52
Synonyms Methyl (5S,10R,11R)-12-thioxo-10,11-dihydro-5H-5,10-thiaethano-dibenzo[a,d]cycloheptene-11-carboxylate
Wiley ID 1324698