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1-Oxa-4-methyl-5-benzyloxy-6-hydroxymethylcyclohexa-2-one

View entire compound with spectra: 1 MS (GC)

1-Oxa-4-methyl-5-benzyloxy-6-hydroxymethylcyclohexa-2-one
SpectraBase Compound ID AGpbPUiUAOk
InChI InChI=1S/C14H18O4/c1-10-7-13(16)18-12(8-15)14(10)17-9-11-5-3-2-4-6-11/h2-6,10,12,14-15H,7-9H2,1H3
InChIKey OLMPAJQRKSQWLM-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3W3L8e2XEs
Name 1-Oxa-4-methyl-5-benzyloxy-6-hydroxymethylcyclohexa-2-one
Alternate Name(s) 5-(benzyloxy)-6-(hydroxymethyl)-4-methyloxan-2-one
CAS Registry Number 108534-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-10-7-13(16)18-12(8-15)14(10)17-9-11-5-3-2-4-6-11/h2-6,10,12,14-15H,7-9H2,1H3
InChIKey OLMPAJQRKSQWLM-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES OCC1OC(CC(C)C1OCc1ccccc1)=O
SPLASH splash10-0007-9500000000-90d0b0960e2c18625085
Source of Spectrum J-52-3164-8
Wiley ID 1253337