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1,4-Cyclopentadiene-1-carboxylic acid, 4-amino-5-(4-methoxyphenyl)-3,3-dimethyl-, methyl ester
SpectraBase Compound ID H0ajvZpwYyq
InChI InChI=1S/C16H19NO3/c1-16(2)9-12(15(18)20-4)13(14(16)17)10-5-7-11(19-3)8-6-10/h5-9H,17H2,1-4H3
InChIKey XKESLIPXJCFTIE-UHFFFAOYSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 292SCkPYMNv
Name 1,4-Cyclopentadiene-1-carboxylic acid, 4-amino-5-(4-methoxyphenyl)-3,3-dimethyl-, methyl ester
CAS Registry Number 118089-31-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-16(2)9-12(15(18)20-4)13(14(16)17)10-5-7-11(19-3)8-6-10/h5-9H,17H2,1-4H3
InChIKey XKESLIPXJCFTIE-UHFFFAOYSA-N
Molecular Weight 273.332 g/mol
SMILES NC1=C(C(=CC1(C)C)C(=O)OC)c1ccc(cc1)OC
SPLASH splash10-03k9-0090000000-cc01fa6063f44ddabe15
Source of Spectrum F-46-1276-13
Synonyms 4-Amino-5,5-dimethyl-2-methoxycarbonyl-3-(4-methoxyphenyl)-cyclopenta-1,3-diene Methyl 4-amino-5-(4-methoxyphenyl)-3,3-dimethyl-1,4-cyclopentadiene-1-carboxylate
Wiley ID 1277309