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

*Links on SpectraBase are not permalinks.
3-[(1S,6R)-6-(p-Tolylsulfonyl)bicyclo[4.1.0]hept-1-yl]propanoic acid
SpectraBase Compound ID FrDRO63PmyF
InChI InChI=1S/C17H22O4S/c1-13-4-6-14(7-5-13)22(20,21)17-10-3-2-9-16(17,12-17)11-8-15(18)19/h4-7H,2-3,8-12H2,1H3,(H,18,19)/t16-,17+/m0/s1
InChIKey XDAHHPWNENPDJV-DLBZAZTESA-N
Mol Weight 322.42 g/mol
Molecular Formula C17H22O4S
Exact Mass 322.12388 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 HOx2fLGfZsV
Name 3-[(1S,6R)-6-(p-Tolylsulfonyl)bicyclo[4.1.0]hept-1-yl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4S
InChI InChI=1S/C17H22O4S/c1-13-4-6-14(7-5-13)22(20,21)17-10-3-2-9-16(17,12-17)11-8-15(18)19/h4-7H,2-3,8-12H2,1H3,(H,18,19)/t16-,17+/m0/s1
InChIKey XDAHHPWNENPDJV-DLBZAZTESA-N
Molecular Weight 322.419 g/mol
SMILES OC(CC[C@@]12CCCC[C@]2(C1)S(=O)(=O)c1ccc(cc1)C)=O
SPLASH splash10-0002-0900000000-a407c11f39a5a6bf6c24
Source of Spectrum E1-43-576-24
Synonyms 3-{(1S,6R)-6-[(4-methylphenyl)sulfonyl]bicyclo[4.1.0]hept-1-yl}propanoic acid
Wiley ID 1553006