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LAUREN-1-ENE
SpectraBase Compound ID DLYHiG2dwqp
InChI InChI=1S/C20H32/c1-14-7-6-10-18(4)12-9-16-17(2,3)13-19(5)11-8-15(14)20(16,18)19/h8,14,16H,6-7,9-13H2,1-5H3/t14-,16-,18+,19-,20?/m1/s1
InChIKey TYDFDHZTDWVUJF-IAAPBBNJSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wHsABpnzWq
Name Laurenene
CAS Registry Number 90025-15-3
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 272.250401030 u
Formula C20H32
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/C20H32/c1-14-7-6-10-18(4)12-9-16-17(2,3)13-19(5)11-8-15(14)20(16,18)19/h8,14,16H,6-7,9-13H2,1-5H3/t14-,16-,18+,19-,20?/m1/s1
InChIKey TYDFDHZTDWVUJF-IAAPBBNJSA-N
Molecular Weight 272.476 g/mol
Nominal Mass 272 u
Number of Peaks 194
SMILES [C@@]12(C34C(=CC[C@@]4(CC1(C)C)C)[C@@](CCC[C@]3(CC2)C)(C)[H])[H]
SPLASH splash10-0avl-3940000000-e103943de55e73ba4d9b
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000835