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1H-Pyrazole-1-butanamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-nitro-
SpectraBase Compound ID FzNh1ISODin
InChI InChI=1S/C17H19N5O3S/c18-9-14-13-5-2-1-3-6-15(13)26-17(14)20-16(23)7-4-8-21-11-12(10-19-21)22(24)25/h10-11H,1-8H2,(H,20,23)
InChIKey ISWXAAXKFJXNQA-UHFFFAOYSA-N
Mol Weight 373.43 g/mol
Molecular Formula C17H19N5O3S
Exact Mass 373.120861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyzoFpo2MsQ
Name 1H-Pyrazole-1-butanamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-nitro-
Alternate Name(s) N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-nitro-1-pyrazolyl)butanamide N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-nitropyrazol-1-yl)butanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N5O3S
InChI InChI=1S/C17H19N5O3S/c18-9-14-13-5-2-1-3-6-15(13)26-17(14)20-16(23)7-4-8-21-11-12(10-19-21)22(24)25/h10-11H,1-8H2,(H,20,23)
InChIKey ISWXAAXKFJXNQA-UHFFFAOYSA-N
Molecular Weight 373.431 g/mol
SMILES N(c1c(c2CCCCCc2s1)C#N)C(=O)CCC[n]1cc(N(=O)=O)cn1
SPLASH splash10-001l-5900000000-94912d713fc0bd6321ca
Source of Spectrum IY-1-4520-6
Wiley ID 1653189