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3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, [S-[R*,S*-(E)]]-
SpectraBase Compound ID HaOktOUcvFB
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7-
InChIKey PWDOJWCZWKWKSE-FPLPWBNLSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOMWdsraYwl
Name 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, [S-[R*,S*-(E)]]-
CAS Registry Number 124152-01-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7-
InChIKey PWDOJWCZWKWKSE-FPLPWBNLSA-N
Molecular Weight 194.318 g/mol
SMILES OC(\C=C/C1C(=CCCC1(C)C)C)C
SPLASH splash10-0007-9200000000-0a414e6dc534498ca4d8
Source of Spectrum J-55-1107-2
Synonyms (3Z)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol (Z)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-1-en-3-ol
Wiley ID 1191484