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3-Butynamide, N-[(cyclohexylamino)carbonyl]-2,2-dimethyl-N-3-pyridinyl-
SpectraBase Compound ID 4Y3gz1p0h73
InChI InChI=1S/C18H23N3O2/c1-4-18(2,3)16(22)21(15-11-8-12-19-13-15)17(23)20-14-9-6-5-7-10-14/h1,8,11-14H,5-7,9-10H2,2-3H3,(H,20,23)
InChIKey ZCPPRUBAMLDRTJ-UHFFFAOYSA-N
Mol Weight 313.4 g/mol
Molecular Formula C18H23N3O2
Exact Mass 313.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28FibnweAHq
Name 3-Butynamide, N-[(cyclohexylamino)carbonyl]-2,2-dimethyl-N-3-pyridinyl-
Alternate Name(s) N'-cyclohexyl-N-(2,2-dimethyl-3-butynoyl)-N-(3-pyridinyl)urea N-Cyclohexyl-N'-(2,2-dimethyl-3-butynoyl)-N'-(3-pyridyl)urea
CAS Registry Number 114081-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N3O2
InChI InChI=1S/C18H23N3O2/c1-4-18(2,3)16(22)21(15-11-8-12-19-13-15)17(23)20-14-9-6-5-7-10-14/h1,8,11-14H,5-7,9-10H2,2-3H3,(H,20,23)
InChIKey ZCPPRUBAMLDRTJ-UHFFFAOYSA-N
Molecular Weight 313.401 g/mol
SMILES N(C(N(C(C(C#C)(C)C)=O)c1cnccc1)=O)C1CCCCC1
SPLASH splash10-01bi-8900000000-41856f94278ef0af9448
Source of Spectrum H-70-1735-9
Wiley ID 1314338