| SpectraBase Spectrum ID |
BRkUDQLiVVU |
| Name |
.beta.-Alanyl-.beta.-alanine, N-neopentyloxycarbonyl-, hexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.246772198 u |
| Formula |
C18H34N2O5 |
| InChI |
InChI=1S/C18H34N2O5/c1-5-6-7-8-13-24-16(22)10-12-19-15(21)9-11-20-17(23)25-14-18(2,3)4/h5-14H2,1-4H3,(H,19,21)(H,20,23) |
| InChIKey |
YYYUPSSMNQABNC-UHFFFAOYSA-N |
| Molecular Weight |
358.479 g/mol |
| SMILES |
CC(COC(NCCC(NCCC(OCCCCCC)=O)=O)=O)(C)C |
