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(7S,10R)-CALAMENENE
SpectraBase Compound ID 3pVZ8ozDZLi
InChI InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13+/m1/s1
InChIKey PGTJIOWQJWHTJJ-OLZOCXBDSA-N
Mol Weight 202.34 g/mol
Molecular Formula C15H22
Exact Mass 202.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45YFIj5GNYW
Name Calamenene
CAS Registry Number 73209-42-4
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 202.172150708 u
Formula C15H22
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13+/m1/s1
InChIKey PGTJIOWQJWHTJJ-OLZOCXBDSA-N
Molecular Weight 202.341 g/mol
Nominal Mass 202 u
Number of Peaks 123
SMILES C1C[C@](c2c([C@@]1(C)[H])ccc(c2)C)(C(C)C)[H]
SPLASH splash10-0a4i-1900000000-e3ce078f6535ed10a6bb
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000241