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.beta.-Alanine, N-[(2-nitrophenyl)sulfonyl]-
SpectraBase Compound ID 7mI8ml8PQZ2
InChI InChI=1S/C9H10N2O6S/c12-9(13)5-6-10-18(16,17)8-4-2-1-3-7(8)11(14)15/h1-4,10H,5-6H2,(H,12,13)
InChIKey GITSWRINOGOGRB-UHFFFAOYSA-N
Mol Weight 274.25 g/mol
Molecular Formula C9H10N2O6S
Exact Mass 274.025957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kkVDjNho0
Name .beta.-Alanine, N-[(2-nitrophenyl)sulfonyl]-
Alternate Name(s) 3-(2-nitrophenylsulfonamido)propanoic acid N-[(2-nitrophenyl)sulfonyl]-.beta.-alanine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10N2O6S
InChI InChI=1S/C9H10N2O6S/c12-9(13)5-6-10-18(16,17)8-4-2-1-3-7(8)11(14)15/h1-4,10H,5-6H2,(H,12,13)
InChIKey GITSWRINOGOGRB-UHFFFAOYSA-N
Molecular Weight 274.247 g/mol
SMILES OC(CCNS(=O)(=O)c1ccccc1[N+]([O-])=O)=O
SPLASH splash10-000i-9400000000-7c1c68133d461fcfb358
Source of Spectrum JX-2015-2-662
Wiley ID 1722365