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Methyl 2-diazo-3-(m-cyano)phenyl-3-[(N-tosyl)amino]propanoate
SpectraBase Compound ID FUXdFGzBdxx
InChI InChI=1S/C18H16N4O4S/c1-12-6-8-15(9-7-12)27(24,25)22-16(17(21-20)18(23)26-2)14-5-3-4-13(10-14)11-19/h3-10,16,22H,1-2H3
InChIKey XULKDPSOVRTDGV-UHFFFAOYSA-N
Mol Weight 384.41 g/mol
Molecular Formula C18H16N4O4S
Exact Mass 384.089226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Tj2FIZ7lRY
Name Methyl 2-diazo-3-(m-cyano)phenyl-3-[(N-tosyl)amino]propanoate
Alternate Name(s) Methyl 3-(3-cyanophenyl)-2-diazo-3-{[(4-methylphenyl)sulfonyl]amino}propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N4O4S
InChI InChI=1S/C18H16N4O4S/c1-12-6-8-15(9-7-12)27(24,25)22-16(17(21-20)18(23)26-2)14-5-3-4-13(10-14)11-19/h3-10,16,22H,1-2H3
InChIKey XULKDPSOVRTDGV-UHFFFAOYSA-N
Molecular Weight 384.410 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(C(=[N+]=[N-])C(=O)OC)c1cc(C#N)ccc1
SPLASH splash10-0006-9301000000-7f04fed35c739b019eb1
Source of Spectrum KC-61-6549-3
Wiley ID 1629702