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1,4-Cyclopentadiene-1-carboxylic acid, 4-amino-5-(3-chlorophenyl)-3,3-dimethyl-, methyl ester
SpectraBase Compound ID I9idik1mFcy
InChI InChI=1S/C15H16ClNO2/c1-15(2)8-11(14(18)19-3)12(13(15)17)9-5-4-6-10(16)7-9/h4-8H,17H2,1-3H3
InChIKey WGCTZTVSBYORLN-UHFFFAOYSA-N
Mol Weight 277.75 g/mol
Molecular Formula C15H16ClNO2
Exact Mass 277.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jkt8VQKtnBR
Name 1,4-Cyclopentadiene-1-carboxylic acid, 4-amino-5-(3-chlorophenyl)-3,3-dimethyl-, methyl ester
CAS Registry Number 128746-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16ClNO2
InChI InChI=1S/C15H16ClNO2/c1-15(2)8-11(14(18)19-3)12(13(15)17)9-5-4-6-10(16)7-9/h4-8H,17H2,1-3H3
InChIKey WGCTZTVSBYORLN-UHFFFAOYSA-N
Molecular Weight 277.751 g/mol
SMILES NC1=C(C(=CC1(C)C)C(=O)OC)c1cc(Cl)ccc1
SPLASH splash10-017i-0390000000-5240c064701e42b9007f
Source of Spectrum F-46-1277-13
Synonyms 4-Amino-5,5-dimethyl-2-methoxycarbonyl-3-(3-chlorophenyl)-cyclopenta-1,3-diene Methyl 4-amino-5-(3-chlorophenyl)-3,3-dimethyl-1,4-cyclopentadiene-1-carboxylate
Wiley ID 1280978