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5-Hexyl-2-isoxazoline-3-carboxylic acid ethyl ester
SpectraBase Compound ID LoLN9T7Vl1K
InChI InChI=1S/C12H21NO3/c1-3-5-6-7-8-10-9-11(13-16-10)12(14)15-4-2/h10H,3-9H2,1-2H3
InChIKey MPENOMDJKHKLJU-UHFFFAOYSA-N
Mol Weight 227.3 g/mol
Molecular Formula C12H21NO3
Exact Mass 227.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D79T4TCI1Sm
Name 5-Hexyl-2-isoxazoline-3-carboxylic acid ethyl ester
CAS Registry Number 83967-82-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO3
InChI InChI=1S/C12H21NO3/c1-3-5-6-7-8-10-9-11(13-16-10)12(14)15-4-2/h10H,3-9H2,1-2H3
InChIKey MPENOMDJKHKLJU-UHFFFAOYSA-N
Molecular Weight 227.304 g/mol
SMILES C1(=NOC(C1)CCCCCC)C(=O)OCC
SPLASH splash10-0f6x-0910000000-2c5a4522821b18092e27
Source of Spectrum F-43-3985-0
Synonyms 5-Hexyl-4,5-dihydroisoxazole-3-carboxylic acid ethyl ester Ethyl 5-hexyl-4,5-dihydro-1,2-oxazole-3-carboxylate Ethyl 5-hexyl-4,5-dihydroisoxazole-3-carboxylate
Wiley ID 1228579