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

*Links on SpectraBase are not permalinks.
(E)-2-[benzyl(carbobenzoxy)amino]-6,6-dimethyl-hept-2-en-4-ynoic acid ethyl ester
SpectraBase Compound ID 1JzUqcJBros
InChI InChI=1S/C26H29NO4/c1-5-30-24(28)23(17-12-18-26(2,3)4)27(19-21-13-8-6-9-14-21)25(29)31-20-22-15-10-7-11-16-22/h6-11,13-17H,5,19-20H2,1-4H3/b23-17+
InChIKey RNOVSHAONRAOMD-HAVVHWLPSA-N
Mol Weight 419.52 g/mol
Molecular Formula C26H29NO4
Exact Mass 419.209658 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 LtlUaUxKwzl
Name (E)-2-[benzyl(carbobenzoxy)amino]-6,6-dimethyl-hept-2-en-4-ynoic acid ethyl ester
Alternate Name(s) (E)-6,6-dimethyl-2-[phenylmethoxycarbonyl-(phenylmethyl)amino]hept-2-en-4-ynoic acid ethyl ester Ethyl (E)-2-[benzyl(phenylmethoxycarbonyl)amino]-6,6-dimethylhept-2-en-4-ynoate Ethyl (E)-6,6-dimethyl-2-[phenylmethoxycarbonyl-(phenylmethyl)amino]hept-2-en-4-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29NO4
InChI InChI=1S/C26H29NO4/c1-5-30-24(28)23(17-12-18-26(2,3)4)27(19-21-13-8-6-9-14-21)25(29)31-20-22-15-10-7-11-16-22/h6-11,13-17H,5,19-20H2,1-4H3/b23-17+
InChIKey RNOVSHAONRAOMD-HAVVHWLPSA-N
Molecular Weight 419.521 g/mol
SMILES C(\C(N(C(OCc1ccccc1)=O)Cc1ccccc1)=C/C#CC(C)(C)C)(=O)OCC
SPLASH splash10-0036-9066100000-129f2a971bc266c6a397
Source of Spectrum C5-2002-1766-8
Wiley ID 1614909