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(1S,2S,5R)-1-(But-3-enyl)-2-isopropyl-5-methylcyclohexanol
SpectraBase Compound ID L1paYruUxfB
InChI InChI=1S/C14H26O/c1-5-6-9-14(15)10-12(4)7-8-13(14)11(2)3/h5,11-13,15H,1,6-10H2,2-4H3/t12-,13+,14+/m1/s1
InChIKey MEXZHLFBCPHXPF-RDBSUJKOSA-N
Mol Weight 210.36 g/mol
Molecular Formula C14H26O
Exact Mass 210.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6Ju6N2Xh5H
Name (1S,2S,5R)-1-(But-3-enyl)-2-isopropyl-5-methylcyclohexanol
Classification Menthane monoterpenoids
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 210.198365456 u
Formula C14H26O
InChI InChI=1S/C14H26O/c1-5-6-9-14(15)10-12(4)7-8-13(14)11(2)3/h5,11-13,15H,1,6-10H2,2-4H3/t12-,13+,14+/m1/s1
InChIKey MEXZHLFBCPHXPF-RDBSUJKOSA-N
Molecular Weight 210.361 g/mol
Number of Peaks 18
SMILES O[C@@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])CCC=C
SPLASH splash10-0532-8900000000-361b13c04fe173fa2b98
Source of Spectrum FF-29-123-(_)_22 (DOI: 10.1002/ffj.3187)
Synonyms (1S,2S,5R)-1-(but-3-en-1-yl)-2-isopropyl-5-methylcyclohexanol
Wiley ID 1775692