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

*Links on SpectraBase are not permalinks.
2-Propenoic acid, 3-[2,6,6-trimethyl-5-[[(methylsulfonyl)oxy]methyl]-2-cyclohexen-1-yl]-, [1.alpha.(E),5.alpha.]-(.+-.)-
SpectraBase Compound ID Kr4pNko3PbH
InChI InChI=1S/C14H22O5S/c1-10-5-6-11(9-19-20(4,17)18)14(2,3)12(10)7-8-13(15)16/h5,7-8,11-12H,6,9H2,1-4H3,(H,15,16)/b8-7+/t11-,12-/m1/s1
InChIKey AVPZHSGCPXATPG-IDDPWSFUSA-N
Mol Weight 302.38 g/mol
Molecular Formula C14H22O5S
Exact Mass 302.118795 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 61CY2pBQnWt
Name 2-Propenoic acid, 3-[2,6,6-trimethyl-5-[[(methylsulfonyl)oxy]methyl]-2-cyclohexen-1-yl]-, [1.alpha.(E),5.alpha.]-(.+-.)-
CAS Registry Number 107890-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O5S
InChI InChI=1S/C14H22O5S/c1-10-5-6-11(9-19-20(4,17)18)14(2,3)12(10)7-8-13(15)16/h5,7-8,11-12H,6,9H2,1-4H3,(H,15,16)/b8-7+/t11-,12-/m1/s1
InChIKey AVPZHSGCPXATPG-IDDPWSFUSA-N
Molecular Weight 302.385 g/mol
SMILES OC(\C=C\[C@]1(C([C@@](COS(=O)(=O)C)(CC=C1C)[H])(C)C)[H])=O
SPLASH splash10-0006-9100000000-4360c397079e262a05cd
Source of Spectrum J-52-2097-9
Synonyms (2E)-3-((1R,5S)-2,6,6-trimethyl-5-{[(methylsulfonyl)oxy]methyl}-2-cyclohexen-1-yl)-2-propenoic acid cis (1',5')-(2E)-3-[2',6',6'-trimethyl-5'-[[(methylsulfonyl)-oxy]methyl]-2'-cyclohexen-1'-yl]-2-propenoic acid
Wiley ID 1304358