| SpectraBase Spectrum ID |
EK3eraXDZlm |
| Name |
(S)-3-Aminobutyric acid, N-(N-propyloxycarbonyl)-, N-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.147058156 u |
| Formula |
C11H21NO4 |
| InChI |
InChI=1S/C11H21NO4/c1-4-6-15-10(13)8-9(3)12-11(14)16-7-5-2/h9H,4-8H2,1-3H3,(H,12,14)/t9-/m0/s1 |
| InChIKey |
RDTPNRCLKHMAFK-VIFPVBQESA-N |
| Molecular Weight |
231.292 g/mol |
| SMILES |
C([C@](C)(NC(OCCC)=O)[H])C(=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981425 |
