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5-Isoxazolecarboxylic acid, 4,5-dihydro-3-(5-oxohexyl)-, methyl ester
SpectraBase Compound ID E6B94j53xCd
InChI InChI=1S/C11H17NO4/c1-8(13)5-3-4-6-9-7-10(16-12-9)11(14)15-2/h10H,3-7H2,1-2H3
InChIKey MIBKGMDEUMOBQM-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C11H17NO4
Exact Mass 227.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvHkgqxUqxc
Name 5-Isoxazolecarboxylic acid, 4,5-dihydro-3-(5-oxohexyl)-, methyl ester
CAS Registry Number 91923-52-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO4
InChI InChI=1S/C11H17NO4/c1-8(13)5-3-4-6-9-7-10(16-12-9)11(14)15-2/h10H,3-7H2,1-2H3
InChIKey MIBKGMDEUMOBQM-UHFFFAOYSA-N
Molecular Weight 227.260 g/mol
SMILES C1(ON=C(C1)CCCCC(=O)C)C(=O)OC
SPLASH splash10-06rx-9300000000-4e06ef25275335bf095c
Source of Spectrum B-37-1241-0
Synonyms Methyl 3-(5-oxohexyl)-4,5-dihydro-5-isoxazolecarboxylate Methyl 3-(5-oxohexyl)-4,5-dihydroisoxazole-5-carboxylate Methyl 8-hydroxy-8-methyl-1,3-epoxynitrilocyclooctane-1-carboxylate
Wiley ID 1228477