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(Z)-(1S,2R,4R) 7,7-dimethyl-1-[(3-hydroxy-1'-propenyl)thio]methyl-bicyclo[2.2.1]heptan-2-ol
SpectraBase Compound ID 3DJ2FT8wjmS
InChI InChI=1S/C13H22O2S/c1-12(2)10-4-5-13(12,11(15)8-10)9-16-7-3-6-14/h3,7,10-11,14-15H,4-6,8-9H2,1-2H3/b7-3-/t10-,11-,13-/m1/s1
InChIKey MZINHIUAKOFPGP-OPBOZMFXSA-N
Mol Weight 242.38 g/mol
Molecular Formula C13H22O2S
Exact Mass 242.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIH5EcZvane
Name (Z)-(1S,2R,4R) 7,7-dimethyl-1-[(3-hydroxy-1'-propenyl)thio]methyl-bicyclo[2.2.1]heptan-2-ol
CAS Registry Number 127891-59-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2S
InChI InChI=1S/C13H22O2S/c1-12(2)10-4-5-13(12,11(15)8-10)9-16-7-3-6-14/h3,7,10-11,14-15H,4-6,8-9H2,1-2H3/b7-3-/t10-,11-,13-/m1/s1
InChIKey MZINHIUAKOFPGP-OPBOZMFXSA-N
Molecular Weight 242.377 g/mol
SMILES O[C@@]1(C[C@@]2(C([C@@]1(CS\C=C/CO)CC2)(C)C)[H])[H]
SPLASH splash10-004i-0190000000-f9a2343ff8da967bc76c
Source of Spectrum F-45-7019-5
Synonyms (1S,2R,4R)-1-({[(1Z)-3-hydroxy-1-propenyl]sulfanyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
Wiley ID 1244916