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1H-Pyrrole-2-carboxylic acid, 4-methyl-5-(2-nitroethenyl)-, 1,1-dimethylethyl ester
SpectraBase Compound ID F1A9D7kTW9n
InChI InChI=1S/C12H16N2O4/c1-8-7-10(11(15)18-12(2,3)4)13-9(8)5-6-14(16)17/h5-7,13H,1-4H3/b6-5+
InChIKey CFUDWLGXCUZXKR-AATRIKPKSA-N
Mol Weight 252.27 g/mol
Molecular Formula C12H16N2O4
Exact Mass 252.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2V7ZPk9Kp2A
Name 1H-Pyrrole-2-carboxylic acid, 4-methyl-5-(2-nitroethenyl)-, 1,1-dimethylethyl ester
Alternate Name(s) t-Butyl 4-methyl-5-(2-nitrovinyl)pyrrole-2-carboxylate tert-Butyl 4-methyl-5-[(E)-2-nitroethenyl]-1H-pyrrole-2-carboxylate
CAS Registry Number 118826-10-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O4
InChI InChI=1S/C12H16N2O4/c1-8-7-10(11(15)18-12(2,3)4)13-9(8)5-6-14(16)17/h5-7,13H,1-4H3/b6-5+
InChIKey CFUDWLGXCUZXKR-AATRIKPKSA-N
Molecular Weight 252.270 g/mol
SMILES [nH]1c(c(cc1C(OC(C)(C)C)=O)C)\C=C\N(=O)=O
SPLASH splash10-0k9i-0900000000-b26ef4874ac3d91cda78
Source of Spectrum KC-1988-1573-21
Wiley ID 1255226