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

*Links on SpectraBase are not permalinks.

Propanoic acid, 2-methyl-, 1-[[[3-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthalenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl ester

View entire compound with spectra: 1 MS (GC)

Propanoic acid, 2-methyl-, 1-[[[3-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthalenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl ester
SpectraBase Compound ID 98EY6iNIIbK
InChI InChI=1S/C42H58N2O7/c1-12-41(8,9)27-20-21-33(31(24-27)42(10,11)13-2)50-23-17-16-22-43-37(47)30-25-32(28-18-14-15-19-29(28)34(30)45)44-38(48)35(36(46)40(5,6)7)51-39(49)26(3)4/h14-15,18-21,24-26,35,45H,12-13,16-17,22-23H2,1-11H3,(H,43,47)(H,44,48)
InChIKey LKBYOIZAQUEUDN-UHFFFAOYSA-N
Mol Weight 702.9 g/mol
Molecular Formula C42H58N2O7
Exact Mass 702.424402 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 CLzNwpYMF4o
Name Propanoic acid, 2-methyl-, 1-[[[3-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthalenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H58N2O7
InChI InChI=1S/C42H58N2O7/c1-12-41(8,9)27-20-21-33(31(24-27)42(10,11)13-2)50-23-17-16-22-43-37(47)30-25-32(28-18-14-15-19-29(28)34(30)45)44-38(48)35(36(46)40(5,6)7)51-39(49)26(3)4/h14-15,18-21,24-26,35,45H,12-13,16-17,22-23H2,1-11H3,(H,43,47)(H,44,48)
InChIKey LKBYOIZAQUEUDN-UHFFFAOYSA-N
Molecular Weight 702.933 g/mol
SMILES N(CCCCOc1ccc(C(CC)(C)C)cc1C(C)(C)CC)C(c1cc(c2ccccc2c1O)NC(=O)C(OC(=O)C(C)C)C(=O)C(C)(C)C)=O
SPLASH splash10-00di-9340100100-b0931beebbdcabd8891d
Source of Spectrum JX-2015-4-1451
Synonyms 1-((3-((4-(2,4-di-tert-pentylphenoxy)butyl)carbamoyl)-4-hydroxynaphthalen-1-yl)amino)-4,4-dimethyl-1,3-dioxopentan-2-yl isobutyrate 1-{[3-({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}carbamoyl)-4-hydroxynaphthalen-1-yl]amino}-4,4-dimethyl-1,3-dioxopentan-2-yl 2-methylpropanoate 2-Methylpropanoic acid [1-[[3-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-oxomethyl]-4-hydroxy-1-naphthalenyl]amino]-4,4-dimethyl-1,3-dioxopentan-2-yl] ester [1-[[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-hydroxynaphthalen-1-yl]amino]-4,4-dimethyl-1,3-dioxopentan-2-yl] 2-methylpropanoate [1-[[3-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butylcarbamoyl]-4-hydroxy-1-naphthyl]carbamoyl]-3,3-dimethyl-2-oxo-butyl] 2-methylpropanoate [1-[[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]amino]-4,4-dimethyl-1,3-bis(oxidanylidene)pentan-2-yl] 2-methylpropanoate
Wiley ID 1726834