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BHJHPYFAYGAPLS-UHFFFAOYSA-N
SpectraBase Compound ID D93S7UsmTN
InChI InChI=1S/C9H10O3/c1-7(10)12-9-6-4-3-5-8(9)11-2/h3-6H,1-2H3
InChIKey BHJHPYFAYGAPLS-UHFFFAOYSA-N
Mol Weight 166.18 g/mol
Molecular Formula C9H10O3
Exact Mass 166.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jf64F2yrHFn
Name ortho-Guaiacol acetate
Alternate Name(s) Guaiacol acetate
CAS Registry Number 613-70-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O3
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/C9H10O3/c1-7(10)12-9-6-4-3-5-8(9)11-2/h3-6H,1-2H3
InChIKey BHJHPYFAYGAPLS-UHFFFAOYSA-N
Molecular Weight 166.176 g/mol
SMILES C(Oc1c(OC)cccc1)(C)=O
SPLASH splash10-05fr-8900000000-9b68f920d87dff7f7666
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886383