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Pygmaein
SpectraBase Compound ID AHbm2AxR3Dc
InChI InChI=1S/C11H14O3/c1-7(2)8-5-4-6-9(12)10(13)11(8)14-3/h4-7H,1-3H3,(H,12,13)
InChIKey WKNNCBGPLIVJTL-UHFFFAOYSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53tMZjj6SNi
Name Pygmaein
CAS Registry Number 16749-07-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O3
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/C11H14O3/c1-7(2)8-5-4-6-9(12)10(13)11(8)14-3/h4-7H,1-3H3,(H,12,13)
InChIKey WKNNCBGPLIVJTL-UHFFFAOYSA-N
Molecular Weight 194.230 g/mol
SMILES OC1=C(C(=CC=CC1=O)C(C)C)OC
SPLASH splash10-002f-6900000000-0869c765a3c3a0322d45
Source ex ZAVARIN ex CUP. PIGMEA
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886930