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3,7-Dimethyl-6-octenoic acid
SpectraBase Compound ID FnOpnM18rDe
InChI InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)
InChIKey GJWSUKYXUMVMGX-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H75SQlahsFe
Name Citronellic acid
CAS Registry Number 502-47-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
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/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)
InChIKey GJWSUKYXUMVMGX-UHFFFAOYSA-N
Molecular Weight 170.252 g/mol
SMILES OC(=O)CC(CCC=C(C)C)C
SPLASH splash10-00kf-9000000000-6f11bfd56dbddfa6117e
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887250