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N-(1-(8-Nitropyrenesulfonyl)]-L-alanine Ethyl Ester
SpectraBase Compound ID 3ZAE9amOKXQ
InChI InChI=1S/C21H18N2O6S/c1-3-29-21(24)12(2)22-30(27,28)18-11-7-14-5-4-13-6-10-17(23(25)26)15-8-9-16(18)20(14)19(13)15/h4-12,22H,3H2,1-2H3
InChIKey UBPHDVARNXYGAA-UHFFFAOYSA-N
Mol Weight 426.44 g/mol
Molecular Formula C21H18N2O6S
Exact Mass 426.088557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgS3PMOxSp7
Name N-(1-(8-Nitropyrenesulfonyl)]-L-alanine Ethyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O6S
InChI InChI=1S/C21H18N2O6S/c1-3-29-21(24)12(2)22-30(27,28)18-11-7-14-5-4-13-6-10-17(23(25)26)15-8-9-16(18)20(14)19(13)15/h4-12,22H,3H2,1-2H3
InChIKey UBPHDVARNXYGAA-UHFFFAOYSA-N
Molecular Weight 426.443 g/mol
SMILES N(S(c1c2c3c4c(ccc(N(=O)=O)c4cc2)ccc3cc1)(=O)=O)C(C(=O)OCC)C
SPLASH splash10-07vs-6095200000-d39ba725dd5d70c11a7f
Source of Spectrum J-63-8944-0
Synonyms Ethyl 2-{[(8-nitro-1-pyrenyl)sulfonyl]amino}propanoate
Wiley ID 1379845