| SpectraBase Spectrum ID |
UubXoYY94e |
| Name |
.beta.-Alanine, N-neopentyloxycarbonyl-, decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.272258671 u |
| Formula |
C19H37NO4 |
| InChI |
InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-15-23-17(21)13-14-20-18(22)24-16-19(2,3)4/h5-16H2,1-4H3,(H,20,22) |
| InChIKey |
FDGPFQCWYLFVBT-UHFFFAOYSA-N |
| Molecular Weight |
343.508 g/mol |
| SMILES |
CC(COC(NCCC(OCCCCCCCCCC)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886705 |
