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trans-2-(Thiophenyl)-1-vinyl-1-cyclododecanols
SpectraBase Compound ID EK8YUNvWRzl
InChI InChI=1S/C20H30OS/c1-2-20(21)17-13-8-6-4-3-5-7-12-16-19(20)22-18-14-10-9-11-15-18/h2,9-11,14-15,19,21H,1,3-8,12-13,16-17H2/t19-,20-/m1/s1
InChIKey VOKBUEYZHQJYNP-WOJBJXKFSA-N
Mol Weight 318.52 g/mol
Molecular Formula C20H30OS
Exact Mass 318.201737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3wV5lrMUbI
Name trans-2-(Thiophenyl)-1-vinyl-1-cyclododecanols
Alternate Name(s) (1S,2R)-2-(phenylsulfanyl)-1-vinylcyclododecanol
CAS Registry Number 73465-26-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30OS
InChI InChI=1S/C20H30OS/c1-2-20(21)17-13-8-6-4-3-5-7-12-16-19(20)22-18-14-10-9-11-15-18/h2,9-11,14-15,19,21H,1,3-8,12-13,16-17H2/t19-,20-/m1/s1
InChIKey VOKBUEYZHQJYNP-WOJBJXKFSA-N
Molecular Weight 318.519 g/mol
SMILES O[C@]1([C@](Sc2ccccc2)(CCCCCCCCCC1)[H])C=C
SPLASH splash10-0aor-9514000000-3ad58d542acace8f12e1
Source of Spectrum J-45-2467-0
Wiley ID 1318751