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

*Links on SpectraBase are not permalinks.

(trans)-6,6-Dimethyl-2-(2-thia-5-oxa-4-oxohexyl)bicyclo[3.1.1]hept-3-yl benzoate

View entire compound with spectra: 1 MS (GC)

(trans)-6,6-Dimethyl-2-(2-thia-5-oxa-4-oxohexyl)bicyclo[3.1.1]hept-3-yl benzoate
SpectraBase Compound ID 4fuhBZUYif6
InChI InChI=1S/C20H26O4S/c1-20(2)14-9-16(20)15(11-25-12-18(21)23-3)17(10-14)24-19(22)13-7-5-4-6-8-13/h4-8,14-17H,9-12H2,1-3H3/t14-,15+,16+,17+/m1/s1
InChIKey FJNFBGWNWRMSAR-QZWWFDLISA-N
Mol Weight 362.48 g/mol
Molecular Formula C20H26O4S
Exact Mass 362.15518 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 CnzvCXIJiKb
Name (trans)-6,6-Dimethyl-2-(2-thia-5-oxa-4-oxohexyl)bicyclo[3.1.1]hept-3-yl benzoate
Alternate Name(s) (1S,2S,3S,5R)-2-{[(2-methoxy-2-oxoethyl)sulfanyl]methyl}-6,6-dimethylbicyclo[3.1.1]hept-3-yl benzoate (1S,2S,3S,5R)-6,6-Dimethyl-2-(2-thia-5-oxa-4-oxohexyl)bicyclo[3.1.1]hept-3-yl benzoate 6,6-Dimethyl-2-(2-thia-5-oxa-4-oxohexyl)bicyclo[3.1.1]hept-3-yl benzoate benzoic acid[(1R,3S,4S,5S)-4-[[(2-methoxy-2-oxoethyl)thio]methyl]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ester benzoic acid[(1S,2S,3S,5R)-2-[[(2-keto-2-methoxy-ethyl)thio]methyl]-6,6-dimethyl-norpinan-3-yl]ester [(1R,3S,4S,5S)-4-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]benzoate [(1R,3S,4S,5S)-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]benzoate [(1S,2S,3S,5R)-2-[(2-methoxy-2-oxo-ethyl)sulfanylmethyl]-6,6-dimethyl-norpinan-3-yl]benzoate benzoic acid [(1R,3S,4S,5S)-4-[[(2-methoxy-2-oxoethyl)thio]methyl]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl] ester [(1R,3S,4S,5S)-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl] benzoate [(1S,2S,3S,5R)-2-[(2-methoxy-2-oxo-ethyl)sulfanylmethyl]-6,6-dimethyl-norpinan-3-yl] benzoate [(1R,3S,4S,5S)-4-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl] benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4S
InChI InChI=1S/C20H26O4S/c1-20(2)14-9-16(20)15(11-25-12-18(21)23-3)17(10-14)24-19(22)13-7-5-4-6-8-13/h4-8,14-17H,9-12H2,1-3H3/t14-,15+,16+,17+/m1/s1
InChIKey FJNFBGWNWRMSAR-QZWWFDLISA-N
Molecular Weight 362.484 g/mol
SMILES [C@]12(C(C)(C)[C@](C2)(C[C@@]([C@]1(CSCC(=O)OC)[H])(OC(=O)c1ccccc1)[H])[H])[H]
SPLASH splash10-0a4l-4900000000-bc2304a5ad2a83f818ac
Source of Spectrum KC-0-2134-2
Wiley ID 830835