| SpectraBase Spectrum ID |
2Uxa6lufJYA |
| Name |
(S)-3-Aminobutyric acid, N-(N-propyloxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.115758027 u |
| Formula |
C9H17NO4 |
| InChI |
InChI=1S/C9H17NO4/c1-4-5-14-9(12)10-7(2)6-8(11)13-3/h7H,4-6H2,1-3H3,(H,10,12)/t7-/m0/s1 |
| InChIKey |
BFJHPRUGTRGJHS-ZETCQYMHSA-N |
| Molecular Weight |
203.238 g/mol |
| SMILES |
C([C@](C)(NC(OCCC)=O)[H])C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967375 |
