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2H-1-Benzoxocin-2-carboxylic acid, 3,4,5,6-tetrahydro-3-oxo-, ethyl ester
SpectraBase Compound ID 69DwIFhQcx1
InChI InChI=1S/C14H16O4/c1-2-17-14(16)13-11(15)8-5-7-10-6-3-4-9-12(10)18-13/h3-4,6,9,13H,2,5,7-8H2,1H3
InChIKey NYJTZSBSZKBLBO-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcxjNGaIlzM
Name 2H-1-Benzoxocin-2-carboxylic acid, 3,4,5,6-tetrahydro-3-oxo-, ethyl ester
Alternate Name(s) Ethyl 3-oxo-3,4,5,6-tetrahydro-2H-1-benzoxocin-2-carboxylate Ethyl 3-oxo-3,4,5,6-tetrahydrobenzoxocine-2-carboxylate
CAS Registry Number 115399-71-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-2-17-14(16)13-11(15)8-5-7-10-6-3-4-9-12(10)18-13/h3-4,6,9,13H,2,5,7-8H2,1H3
InChIKey NYJTZSBSZKBLBO-UHFFFAOYSA-N
Molecular Weight 248.278 g/mol
SMILES C1(Oc2c(cccc2)CCCC1=O)C(=O)OCC
SPLASH splash10-052e-1940000000-d634296bd1659c2783a4
Source of Spectrum KC-1989-728-25
Wiley ID 1251078