| SpectraBase Spectrum ID |
BsJt80VWEud |
| Name |
D-Proline, N-neopentyloxycarbonyl-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.225308478 u |
| Formula |
C17H31NO4 |
| InChI |
InChI=1S/C17H31NO4/c1-13(2)8-7-11-21-15(19)14-9-6-10-18(14)16(20)22-12-17(3,4)5/h13-14H,6-12H2,1-5H3 |
| InChIKey |
FHRGDDUMHIJNAB-UHFFFAOYSA-N |
| Molecular Weight |
313.438 g/mol |
| SMILES |
C1CN(C(=O)OCC(C)(C)C)C(C1)C(=O)OCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886546 |
