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.beta.-alanine, N-[(2-chloro-5-nitrophenyl)sulfonyl]-
SpectraBase Compound ID F10fHZ2rGPd
InChI InChI=1S/C9H9ClN2O6S/c10-7-2-1-6(12(15)16)5-8(7)19(17,18)11-4-3-9(13)14/h1-2,5,11H,3-4H2,(H,13,14)
InChIKey AJJPPAKKUJJFCO-UHFFFAOYSA-N
Mol Weight 308.69 g/mol
Molecular Formula C9H9ClN2O6S
Exact Mass 307.986985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3c0KcL5458u
Name .beta.-alanine, N-[(2-chloro-5-nitrophenyl)sulfonyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9ClN2O6S
InChI InChI=1S/C9H9ClN2O6S/c10-7-2-1-6(12(15)16)5-8(7)19(17,18)11-4-3-9(13)14/h1-2,5,11H,3-4H2,(H,13,14)
InChIKey AJJPPAKKUJJFCO-UHFFFAOYSA-N
Molecular Weight 308.692 g/mol
SMILES OC(CCNS(=O)(=O)c1cc(ccc1Cl)[N+]([O-])=O)=O
SPLASH splash10-00dr-9560000000-1685f533a6dfb8a252dc
Source of Spectrum JX-2015-2-1907
Synonyms 3-(2-Chloro-5-nitrophenylsulfonamido)propanoic acid N-[(2-chloro-5-nitrophenyl)sulfonyl]-.beta.-alanine 3-[(2-chloro-5-nitrophenyl)sulfonylamino]propanoic acid 3-[(2-chloro-5-nitro-phenyl)sulfonylamino]propanoic acid 3-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]propanoic acid
Wiley ID 1723519