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1-Oxa-4-methyl-6-hydroxymethyl-5-(anti-benzyloxy)cyclohexa-2-one
SpectraBase Compound ID AX7v5tKNgEt
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/t10-,12?,14+/m1/s1
InChIKey OLMPAJQRKSQWLM-HDDSUISISA-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 LU0RyKJPftY
Name 1-Oxa-4-methyl-6-hydroxymethyl-5-(anti-benzyloxy)cyclohexa-2-one
CAS Registry Number 108534-78-7
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/t10-,12?,14+/m1/s1
InChIKey OLMPAJQRKSQWLM-HDDSUISISA-N
Molecular Weight 250.294 g/mol
SMILES OCC1OC(C[C@@](C)([C@@]1(OCc1ccccc1)[H])[H])=O
SPLASH splash10-0007-9200000000-152cc9d4b501c0f12eef
Source of Spectrum J-52-3164-8
Synonyms (4R,5S)-5-(benzyloxy)-6-(hydroxymethyl)-4-methyloxan-2-one
Wiley ID 1253339