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1-Benzoxepin-3-carboxylic acid, 2,5-dihydro-7-(hydroxymethyl)-5-oxo-, methyl ester

View entire compound with spectra: 1 MS (GC)

1-Benzoxepin-3-carboxylic acid, 2,5-dihydro-7-(hydroxymethyl)-5-oxo-, methyl ester
SpectraBase Compound ID 6Bti0t2mxYw
InChI InChI=1S/C13H12O5/c1-17-13(16)9-5-11(15)10-4-8(6-14)2-3-12(10)18-7-9/h2-5,14H,6-7H2,1H3
InChIKey LGKFKOJWAVFFEA-UHFFFAOYSA-N
Mol Weight 248.23 g/mol
Molecular Formula C13H12O5
Exact Mass 248.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAMaMjcnWVy
Name 1-Benzoxepin-3-carboxylic acid, 2,5-dihydro-7-(hydroxymethyl)-5-oxo-, methyl ester
Alternate Name(s) Methyl 2,5-dihydro-7-hydroxymethyl-5-oxo-1-benzoxepine-3-carboxylate Methyl 7-(hydroxymethyl)-5-oxo-2,5-dihydro-1-benzoxepin-3-carboxylate
CAS Registry Number 87868-87-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O5
InChI InChI=1S/C13H12O5/c1-17-13(16)9-5-11(15)10-4-8(6-14)2-3-12(10)18-7-9/h2-5,14H,6-7H2,1H3
InChIKey LGKFKOJWAVFFEA-UHFFFAOYSA-N
Molecular Weight 248.234 g/mol
SMILES OCc1cc2C(C=C(C(=O)OC)COc2cc1)=O
SPLASH splash10-0002-0590000000-1f2c60eb979fa6869352
Source of Spectrum KC-1983-1721-0
Wiley ID 1250867