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1H-Pyrazole-1-acetamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-.alpha.-methyl-4-nitro-
SpectraBase Compound ID 5vCLpF9keUo
InChI InChI=1S/C16H17N5O3S/c1-10(20-9-11(8-18-20)21(23)24)15(22)19-16-13(7-17)12-5-3-2-4-6-14(12)25-16/h8-10H,2-6H2,1H3,(H,19,22)
InChIKey GUYGNJXJTUOCPQ-UHFFFAOYSA-N
Mol Weight 359.4 g/mol
Molecular Formula C16H17N5O3S
Exact Mass 359.105211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2C4ks79qsq
Name 1H-Pyrazole-1-acetamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-.alpha.-methyl-4-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N5O3S
InChI InChI=1S/C16H17N5O3S/c1-10(20-9-11(8-18-20)21(23)24)15(22)19-16-13(7-17)12-5-3-2-4-6-14(12)25-16/h8-10H,2-6H2,1H3,(H,19,22)
InChIKey GUYGNJXJTUOCPQ-UHFFFAOYSA-N
Molecular Weight 359.404 g/mol
SMILES N(c1c(c2CCCCCc2s1)C#N)C(C([n]1cc(N(=O)=O)cn1)C)=O
SPLASH splash10-0006-9700000000-c0d121055f15daec4f09
Source of Spectrum IY-1-4529-8
Synonyms N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-nitro-1-pyrazolyl)propanamide N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-nitropyrazol-1-yl)propanamide
Wiley ID 1653281