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2-(Tosylamino)-2-methyl-N-(4'-nitrooxycyclohexyl)-propionylamide
SpectraBase Compound ID 1AUdFBkoycK
InChI InChI=1S/C17H25N3O6S/c1-12-4-10-15(11-5-12)27(24,25)19-17(2,3)16(21)18-13-6-8-14(9-7-13)26-20(22)23/h4-5,10-11,13-14,19H,6-9H2,1-3H3,(H,18,21)
InChIKey JXDVEDUKVWHDAN-UHFFFAOYSA-N
Mol Weight 399.46 g/mol
Molecular Formula C17H25N3O6S
Exact Mass 399.146407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXVeq5RnHH5
Name 2-(Tosylamino)-2-methyl-N-(4'-nitrooxycyclohexyl)-propionylamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N3O6S
InChI InChI=1S/C17H25N3O6S/c1-12-4-10-15(11-5-12)27(24,25)19-17(2,3)16(21)18-13-6-8-14(9-7-13)26-20(22)23/h4-5,10-11,13-14,19H,6-9H2,1-3H3,(H,18,21)
InChIKey JXDVEDUKVWHDAN-UHFFFAOYSA-N
Molecular Weight 399.462 g/mol
SMILES N(C(C(NC1CCC(ON(=O)=O)CC1)=O)(C)C)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-03di-5390000000-fdbe8a556299b291db65
Source of Spectrum D8-325-731-1
Synonyms 4-[(2-methyl-2-{[(4-methylphenyl)sulfonyl]amino}propanoyl)amino]cyclohexyl nitrate
Wiley ID 1514546