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Methyl 5-oxo-3-oxepanecarboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 5-oxo-3-oxepanecarboxylate
SpectraBase Compound ID 5rprDmrghq0
InChI InChI=1S/C8H12O4/c1-11-8(10)6-4-7(9)2-3-12-5-6/h6H,2-5H2,1H3
InChIKey XNZULNJBPZFAPH-UHFFFAOYSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkEsIRSp3uk
Name Methyl 5-oxo-3-oxepanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-11-8(10)6-4-7(9)2-3-12-5-6/h6H,2-5H2,1H3
InChIKey XNZULNJBPZFAPH-UHFFFAOYSA-N
Molecular Weight 172.180 g/mol
SMILES C1(C(=O)OC)CC(=O)CCOC1
SPLASH splash10-03dl-0900000000-a404284e28ec63b42272
Source of Spectrum F-47-4856-19
Synonyms 5-Oxo-3-oxepanecarboxylic acid methyl ester Methyl 5-oxooxepane-3-carboxylate Methyl 5-oxidanylideneoxepane-3-carboxylate
Wiley ID 1168501