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Copaene
SpectraBase Compound ID 3SAqfnfDz2o
InChI InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m0/s1
InChIKey VLXDPFLIRFYIME-QRTUWBSPSA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAoebHkGHYt
Name .alpha.-Copaene
CAS Registry Number 3856-25-5
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 204.187800773 u
Formula C15H24
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m0/s1
InChIKey VLXDPFLIRFYIME-QRTUWBSPSA-N
Molecular Weight 204.357 g/mol
Nominal Mass 204 u
Number of Peaks 87
SMILES [C@]12([C@]3([C@]([C@@]2(C(=CC3)C)[H])([C@@](CC1)(C(C)C)[H])[H])[H])C
SPLASH splash10-07bf-4900000000-8e521288585e7760ef8d
Source V. Isidorov
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI000458