| SpectraBase Spectrum ID |
FjghlUTMzX7 |
| Name |
Alanine, N-methyl-N-neopentyloxycarbonyl-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.225308478 u |
| Formula |
C16H31NO4 |
| InChI |
InChI=1S/C16H31NO4/c1-12(2)9-8-10-20-14(18)13(3)17(7)15(19)21-11-16(4,5)6/h12-13H,8-11H2,1-7H3 |
| InChIKey |
KJGITFUBGMENTD-UHFFFAOYSA-N |
| SMILES |
CC(COC(N(C(C(OCCCC(C)C)=O)C)C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875617 |
