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1,3-Cyclopentadiene-1-carboxylic acid, 2-amino-3-cyano-5,5-dimethyl-4-phenyl-, 1,1-dimethylethyl ester
SpectraBase Compound ID 80SPkexxhZw
InChI InChI=1S/C19H22N2O2/c1-18(2,3)23-17(22)15-16(21)13(11-20)14(19(15,4)5)12-9-7-6-8-10-12/h6-10H,21H2,1-5H3
InChIKey VVOCUAUWBZAAFG-UHFFFAOYSA-N
Mol Weight 310.4 g/mol
Molecular Formula C19H22N2O2
Exact Mass 310.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20cYHlLHwTk
Name 1,3-Cyclopentadiene-1-carboxylic acid, 2-amino-3-cyano-5,5-dimethyl-4-phenyl-, 1,1-dimethylethyl ester
Alternate Name(s) tert-Butyl 2-amino-3-cyano-5,5-dimethyl-4-phenyl-1,3-cyclopentadiene-1-carboxylate tert-Butylester of 2-amino-3-cyano-5,5-dimethyl-4-phenyl-1,3-cyclopentadien-1-carboxylic acid
CAS Registry Number 87958-02-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O2
InChI InChI=1S/C19H22N2O2/c1-18(2,3)23-17(22)15-16(21)13(11-20)14(19(15,4)5)12-9-7-6-8-10-12/h6-10H,21H2,1-5H3
InChIKey VVOCUAUWBZAAFG-UHFFFAOYSA-N
Molecular Weight 310.397 g/mol
SMILES NC=1C(C#N)=C(C(C1C(OC(C)(C)C)=O)(C)C)c1ccccc1
SPLASH splash10-0pbi-0090000000-6d5ab21fd0de78f57d45
Source of Spectrum K-116-3110-0
Wiley ID 1311765