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.beta.-Bisabolol
SpectraBase Compound ID 4x0IeqDBjmf
InChI InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15+/m1/s1
InChIKey WTVHAMTYZJGJLJ-CABCVRRESA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZZXHYnKgY7
Name 3-Cyclohexen-1-ol, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-, [S-(R*,S*)]-
Alternate Name(s) (+)-(4S,8S)-.beta.-bisabolol (+)-1S)-1-[(1S)-1,5-dimethylhex-4-enyl]-4-methylcyclohex-3-en-1-ol (1R)-1-[(1R)-1,5-dimethyl-4-hexenyl]-4-methyl-3-cyclohexen-1-ol [S-(R*,S*)]- 1-(1,5-dimethyl-4-hexenyl)-4-methyl-3 -cyclohexen-1-ol (1R)-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-1-cyclohex-3-enol (1R)-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]cyclohex-3-en-1-ol
CAS Registry Number 106035-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
InChI InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15+/m1/s1
InChIKey WTVHAMTYZJGJLJ-CABCVRRESA-N
Molecular Weight 222.372 g/mol
SMILES O[C@]1(CC=C(CC1)C)[C@@](CCC=C(C)C)(C)[H]
SPLASH splash10-00lu-9100000000-f0491831ce245a0a4c1a
Source of Spectrum H-69-702-5
Wiley ID 1223451