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3-(1H-indol-3-yl)-2-methyl-2-nitro-propionic acid methyl ester
SpectraBase Compound ID IjMEO7ExX8q
InChI InChI=1S/C13H14N2O4/c1-13(15(17)18,12(16)19-2)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,14H,7H2,1-2H3
InChIKey UZGZELPIULSXIH-UHFFFAOYSA-N
Mol Weight 262.26 g/mol
Molecular Formula C13H14N2O4
Exact Mass 262.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FvIpWYYCDj
Name 3-(1H-indol-3-yl)-2-methyl-2-nitro-propionic acid methyl ester
CAS Registry Number 113747-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O4
InChI InChI=1S/C13H14N2O4/c1-13(15(17)18,12(16)19-2)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,14H,7H2,1-2H3
InChIKey UZGZELPIULSXIH-UHFFFAOYSA-N
Molecular Weight 262.265 g/mol
SMILES [nH]1c2c(c(c1)CC(N(=O)=O)(C(=O)OC)C)cccc2
SPLASH splash10-05o0-0890000000-282e6eae9ca1362e5909
Source of Spectrum J-53-2326-2
Synonyms 3-(1H-indol-3-yl)-2-methyl-2-nitropropanoic acid methyl ester Methyl 3-(1H-indol-3-yl)-2-methyl-2-nitro-propanoate
Wiley ID 1265587