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

*Links on SpectraBase are not permalinks.
Methyl 2-[4-(2-heptanoylamino-ethyl)phenoxy]-2-methyl-propanoate
SpectraBase Compound ID HHH0OtBGVeJ
InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-18(22)21-15-14-16-10-12-17(13-11-16)25-20(2,3)19(23)24-4/h10-13H,5-9,14-15H2,1-4H3,(H,21,22)
InChIKey UQAPRIUEKVVXGM-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 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 DiFWGuLcq4N
Name Methyl 2-[4-(2-heptanoylamino-ethyl)phenoxy]-2-methyl-propanoate
Appearance Yelloq oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-18(22)21-15-14-16-10-12-17(13-11-16)25-20(2,3)19(23)24-4/h10-13H,5-9,14-15H2,1-4H3,(H,21,22)
InChIKey UQAPRIUEKVVXGM-UHFFFAOYSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/jm201306q
Molecular Weight 349.471 g/mol
SMILES N(CCc1ccc(OC(C(OC)=O)(C)C)cc1)C(CCCCCC)=O
SPLASH splash10-00di-0950000000-e3e11cd9e5cd8fd598a7
Source of Spectrum AF-55-SM2-2b
Wiley ID 1851984