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Peucenin, 7-methyl ether
SpectraBase Compound ID GH3o3CeEE1N
InChI InChI=1S/C16H18O4/c1-9(2)5-6-11-13(19-4)8-14-15(16(11)18)12(17)7-10(3)20-14/h5,7-8,18H,6H2,1-4H3
InChIKey ACFZPAPMLYYOCT-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2YTrGhES5m
Name Peucenin, 7-methyl ether
CAS Registry Number 13544-40-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4
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/C16H18O4/c1-9(2)5-6-11-13(19-4)8-14-15(16(11)18)12(17)7-10(3)20-14/h5,7-8,18H,6H2,1-4H3
InChIKey ACFZPAPMLYYOCT-UHFFFAOYSA-N
Molecular Weight 274.316 g/mol
SMILES Oc1c2c(cc(c1CC=C(C)C)OC)OC(=CC2=O)C
SPLASH splash10-00lr-2190000000-7ce6a13b3a10512c4edd
Source ex VASU DEV
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886844