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Xanthoxylin
SpectraBase Compound ID LqKSVuGAflp
InChI InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3
InChIKey FBUBVLUPUDBFME-UHFFFAOYSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAuLSHv5XGd
Name Phloroacetophenone 2,4-dimethylether
Alternate Name(s) Phloroacetophenone<2,4-dimethylether->
CAS Registry Number 90-24-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O4
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/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3
InChIKey FBUBVLUPUDBFME-UHFFFAOYSA-N
Molecular Weight 196.202 g/mol
SMILES Oc1c(c(cc(c1)OC)OC)C(C)=O
SPLASH splash10-001i-3900000000-9fd3dc35efb6d417a7aa
Source ex IAN SOUTHWELL
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886876