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5-Isoxazolecarboxylic acid, 4,5-dihydro-3-(7-oxoheptyl)-, methyl ester
SpectraBase Compound ID cshUByud1w
InChI InChI=1S/C12H19NO4/c1-16-12(15)11-9-10(13-17-11)7-5-3-2-4-6-8-14/h8,11H,2-7,9H2,1H3
InChIKey LDBVPVDCSYVYGI-UHFFFAOYSA-N
Mol Weight 241.29 g/mol
Molecular Formula C12H19NO4
Exact Mass 241.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpqGSDzi2QO
Name 5-Isoxazolecarboxylic acid, 4,5-dihydro-3-(7-oxoheptyl)-, methyl ester
CAS Registry Number 91923-60-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c1-16-12(15)11-9-10(13-17-11)7-5-3-2-4-6-8-14/h8,11H,2-7,9H2,1H3
InChIKey LDBVPVDCSYVYGI-UHFFFAOYSA-N
Molecular Weight 241.287 g/mol
SMILES C1(ON=C(C1)CCCCCCC=O)C(=O)OC
SPLASH splash10-0006-9300000000-c4ad872d24b9bf144244
Source of Spectrum B-37-1243-0
Synonyms Methyl 3-(7-oxoheptyl)-4,5-dihydro-5-isoxazolecarboxylate Methyl 3-(7-oxoheptyl)-4,5-dihydroisoxazole-5-carboxylate
Wiley ID 1243999