| SpectraBase Spectrum ID |
9yz64V0pn98 |
| Name |
Tert-butyl (2S)-trans-1-(tert-butyloxycarbonyl)-5-(formylmethyl)prolinate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.188922968 u |
| Formula |
C16H27NO5 |
| InChI |
InChI=1S/C16H27NO5/c1-15(2,3)21-13(19)12-8-7-11(9-10-18)17(12)14(20)22-16(4,5)6/h10-12H,7-9H2,1-6H3/t11-,12-/m0/s1 |
| InChIKey |
OICAFCYDXVRKJE-RYUDHWBXSA-N |
| Molecular Weight |
313.394 g/mol |
| SMILES |
C(N1[C@](C(OC(C)(C)C)=O)(CC[C@]1(CC=O)[H])[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973003 |
