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trans-Carvyl propanoate
SpectraBase Compound ID JKVzlSZ32AS
InChI InChI=1S/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3/t11-,12+/m1/s1
InChIKey DFVXNZOMAOGTBL-NEPJUHHUSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hMQ7NPdR6o
Name Carvyl propanoate
CAS Registry Number 74431-24-6
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 208.146329882 u
Formula C13H20O2
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/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3/t11-,12+/m1/s1
InChIKey DFVXNZOMAOGTBL-NEPJUHHUSA-N
Molecular Weight 208.301 g/mol
Nominal Mass 208 u
Number of Peaks 96
SMILES C=1C[C@](C[C@@](C1C)(OC(CC)=O)[H])(C(=C)C)[H]
SPLASH splash10-0a4l-9400000000-ccbfd9497b1b6a4d28e4
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000271