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5,9-Tridecadien-2-ol, 5,9,11-trimethyl-13-(phenylsulfonyl)-
SpectraBase Compound ID 5Hg85BHPTP7
InChI InChI=1S/C22H34O3S/c1-18(13-14-21(4)23)9-8-10-19(2)17-20(3)15-16-26(24,25)22-11-6-5-7-12-22/h5-7,9,11-12,17,20-21,23H,8,10,13-16H2,1-4H3/b18-9-,19-17+
InChIKey ZKSSZBSKGNWNKV-VRNLORSTSA-N
Mol Weight 378.6 g/mol
Molecular Formula C22H34O3S
Exact Mass 378.222866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XTVuN1GTkJ
Name 5,9-Tridecadien-2-ol, 5,9,11-trimethyl-13-(phenylsulfonyl)-
Alternate Name(s) (2RS,11S,5E,9E)-5,9,11-trimethyl-13)phenylsulfonyl)trideca-5,9-dien-2-ol (5Z,9E)-5,9,11-trimethyl-13-(phenylsulfonyl)-5,9-tridecadien-2-ol
CAS Registry Number 127779-23-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3S
InChI InChI=1S/C22H34O3S/c1-18(13-14-21(4)23)9-8-10-19(2)17-20(3)15-16-26(24,25)22-11-6-5-7-12-22/h5-7,9,11-12,17,20-21,23H,8,10,13-16H2,1-4H3/b18-9-,19-17+
InChIKey ZKSSZBSKGNWNKV-VRNLORSTSA-N
Molecular Weight 378.571 g/mol
SMILES OC(CC\C(=C/CC\C(=C\C(CCS(=O)(=O)c1ccccc1)C)C)C)C
SPLASH splash10-0a4i-0901000000-63f5ac12448bce395a0f
Source of Spectrum H-73-253-0
Wiley ID 1358867