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1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-1,4A-DIMETHYL-
SpectraBase Compound ID LObz91CuFKP
InChI InChI=1S/C21H32O2/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/h8,13-14,17-18H,6-7,9-12H2,1-5H3
InChIKey OVXRPXGVKBHGQO-UHFFFAOYSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHB1dxxjmlB
Name Methyl abietate
CAS Registry Number 127-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C21H32O2/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/h8,13-14,17-18H,6-7,9-12H2,1-5H3
InChIKey OVXRPXGVKBHGQO-UHFFFAOYSA-N
Molecular Weight 316.485 g/mol
SMILES C12C(CCCC2(C2C(=CC1)C=C(C(C)C)CC2)C)(C)C(OC)=O
SPLASH splash10-0a4l-4951000000-cc22d9d07c74b8f4dcaf
Source PICEA ABIES, ME ESTERS OF DITERPENE ACIDS
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887628