For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(N-[2-(5-amino-1-tetrazolyl)-1-oxoethyl]-3-methylanilino)-N-(2,6-dimethylphenyl)-1-cyclohexanecarboxamide
SpectraBase Compound ID 5JYhsvxRm39
InChI InChI=1S/C25H31N7O2/c1-17-9-7-12-20(15-17)32(21(33)16-31-24(26)28-29-30-31)25(13-5-4-6-14-25)23(34)27-22-18(2)10-8-11-19(22)3/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,27,34)(H2,26,28,30)
InChIKey YGJBWQWYPKGIKQ-UHFFFAOYSA-N
Mol Weight 461.57 g/mol
Molecular Formula C25H31N7O2
Exact Mass 461.253923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IsM7WxjsqIY
Name 1-(N-[2-(5-amino-1-tetrazolyl)-1-oxoethyl]-3-methylanilino)-N-(2,6-dimethylphenyl)-1-cyclohexanecarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31N7O2
InChI InChI=1S/C25H31N7O2/c1-17-9-7-12-20(15-17)32(21(33)16-31-24(26)28-29-30-31)25(13-5-4-6-14-25)23(34)27-22-18(2)10-8-11-19(22)3/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,27,34)(H2,26,28,30)
InChIKey YGJBWQWYPKGIKQ-UHFFFAOYSA-N
Molecular Weight 461.570 g/mol
SMILES N(C(C1(N(C(C[n]2c(nnn2)N)=O)c2cc(C)ccc2)CCCCC1)=O)c1c(cccc1C)C
SPLASH splash10-000l-4911000000-0a177b1f095c0ed978bb
Synonyms 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-3-methyl-anilino)-N-(2,6-dimethylphenyl)cyclohexanecarboxamide 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-3-methylanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide 1-[2-(5-azanyl-1,2,3,4-tetrazol-1-yl)ethanoyl-(3-methylphenyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
Wiley ID 1464576