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Methyl 7,13,15-abietatrienoate
SpectraBase Compound ID EODMX0iScuf
InChI InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13,17-18H,1,6-7,9-12H2,2-5H3
InChIKey VFWGUFBDEBVPBM-UHFFFAOYSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Je8bYd7vN
Name Methyl 7,13,15-abietatrienoate
CAS Registry Number 54850-32-7
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 314.224580204 u
Formula C21H30O2
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/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13,17-18H,1,6-7,9-12H2,2-5H3
InChIKey VFWGUFBDEBVPBM-UHFFFAOYSA-N
Molecular Weight 314.469 g/mol
Nominal Mass 314 u
Number of Peaks 159
SMILES CC12C(C(C(OC)=O)(C)CCC2)CC=C2C1CCC(=C2)C(C)=C
SPLASH splash10-0w30-3931000000-c7e49a1045524bf21c06
Source PICEA ABIES, ME ESTERS OF DITERPENE ACIDS
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001866