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(2S)-1-(2-nitrobenzoyl)pyrrolidine-2-carbaldehyde
SpectraBase Compound ID 5ShCz3X70R3
InChI InChI=1S/C12H12N2O4/c15-8-9-4-3-7-13(9)12(16)10-5-1-2-6-11(10)14(17)18/h1-2,5-6,8-9H,3-4,7H2/t9-/m0/s1
InChIKey HQURTRIABLWHMZ-VIFPVBQESA-N
Mol Weight 248.24 g/mol
Molecular Formula C12H12N2O4
Exact Mass 248.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IH7TfnkacOf
Name (2S)-1-(2-nitrobenzoyl)pyrrolidine-2-carbaldehyde
Alternate Name(s) (2S)-1-(2-nitrophenyl)carbonylpyrrolidine-2-carbaldehyde (2S)-1-[(2-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxaldehyde
CAS Registry Number 72435-94-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O4
InChI InChI=1S/C12H12N2O4/c15-8-9-4-3-7-13(9)12(16)10-5-1-2-6-11(10)14(17)18/h1-2,5-6,8-9H,3-4,7H2/t9-/m0/s1
InChIKey HQURTRIABLWHMZ-VIFPVBQESA-N
Molecular Weight 248.238 g/mol
SMILES C(c1c(N(=O)=O)cccc1)(N1[C@](C=O)(CCC1)[H])=O
SPLASH splash10-0udi-1960000000-d7f3f4330da1abf85a5d
Source of Spectrum J-51-710-3
Wiley ID 1250764