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valine, N-[(4-methylphenyl)sulfonyl]-, 2-cyclopentylidenehydrazide

View entire compound with spectra: 2 NMR

valine, N-[(4-methylphenyl)sulfonyl]-, 2-cyclopentylidenehydrazide
SpectraBase Compound ID GjgI5YJIAds
InChI InChI=1S/C17H25N3O3S/c1-12(2)16(17(21)19-18-14-6-4-5-7-14)20-24(22,23)15-10-8-13(3)9-11-15/h8-12,16,20H,4-7H2,1-3H3,(H,19,21)
InChIKey DKRROXVPQOBLPV-UHFFFAOYSA-N
Mol Weight 351.47 g/mol
Molecular Formula C17H25N3O3S
Exact Mass 351.161663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L7hrWKJEiAp
Name Valine, N-[(4-methylphenyl)sulfonyl]-, 2-cyclopentylidenehydrazide
Comments Computed using HOSE algorithm
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Exact Mass 351.161662848 u
Formula C17H25N3O3S
InChI InChI=1S/C17H25N3O3S/c1-12(2)16(17(21)19-18-14-6-4-5-7-14)20-24(22,23)15-10-8-13(3)9-11-15/h8-12,16,20H,4-7H2,1-3H3,(H,19,21)
InChIKey DKRROXVPQOBLPV-UHFFFAOYSA-N
Molecular Weight 351.465 g/mol
SMILES N(C(C(NS(C=1C=CC(=CC1)C)(=O)=O)C(C)C)=O)N=C1CCCC1