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4H-Indeno[2,1-d]isoxazole-3-carboxylic acid, 3a,8b-dihydro-, ethyl ester
SpectraBase Compound ID 1B1f5sSimst
InChI InChI=1S/C13H13NO3/c1-2-16-13(15)11-10-7-8-5-3-4-6-9(8)12(10)17-14-11/h3-6,10,12H,2,7H2,1H3
InChIKey XBUBPKFUJOZYIE-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DChIGlE0KCx
Name 4H-Indeno[2,1-d]isoxazole-3-carboxylic acid, 3a,8b-dihydro-, ethyl ester
Alternate Name(s) 3-Carbethoxy-3a,8a-dihydro-4H-indeno[2,1-d] Ethyl 4,8b-dihydro-3aH-indeno[2,1-d]isoxazole-3-carboxylate
CAS Registry Number 115106-28-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-2-16-13(15)11-10-7-8-5-3-4-6-9(8)12(10)17-14-11/h3-6,10,12H,2,7H2,1H3
InChIKey XBUBPKFUJOZYIE-UHFFFAOYSA-N
Molecular Weight 231.251 g/mol
SMILES C=1(C2C(c3ccccc3C2)ON1)C(=O)OCC
SPLASH splash10-0006-0910000000-11b0fd1a022212f28fb3
Source of Spectrum F-43-3985-0
Wiley ID 1232760