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

*Links on SpectraBase are not permalinks.
Pentanoic acid, 3-[(1-oxopentyl)amino]propyl ester
SpectraBase Compound ID If9Y2P0CWoB
InChI InChI=1S/C13H25NO3/c1-3-5-8-12(15)14-10-7-11-17-13(16)9-6-4-2/h3-11H2,1-2H3,(H,14,15)
InChIKey BRHRSBWYDWTBKB-UHFFFAOYSA-N
Mol Weight 243.35 g/mol
Molecular Formula C13H25NO3
Exact Mass 243.183444 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 KSkrGy9XZGG
Name Pentanoic acid, 3-[(1-oxopentyl)amino]propyl ester
Alternate Name(s) 3-(Pentanoylamino)propyl pentanoate valeric acid 3-(valerylamino)propyl ester
CAS Registry Number 55044-82-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H25NO3
InChI InChI=1S/C13H25NO3/c1-3-5-8-12(15)14-10-7-11-17-13(16)9-6-4-2/h3-11H2,1-2H3,(H,14,15)
InChIKey BRHRSBWYDWTBKB-UHFFFAOYSA-N
Molecular Weight 243.347 g/mol
SMILES N(C(CCCC)=O)CCCOC(CCCC)=O
SPLASH splash10-0f7a-6900000000-d49450518a54b7fd7d40
Source of Spectrum O-6-336-8
Wiley ID 1246025