| SpectraBase Spectrum ID |
3r0WvWsCaXe |
| Name |
1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
479.397459187 u |
| Formula |
C29H53NO4 |
| InChI |
InChI=1S/C29H53NO4/c1-5-6-7-8-9-10-11-12-13-16-21-33-27(31)29(19-14-15-20-29)30-28(32)34-26-22-24(4)17-18-25(26)23(2)3/h23-26H,5-22H2,1-4H3,(H,30,32) |
| InChIKey |
AEUBGSANOZQKRL-UHFFFAOYSA-N |
| Molecular Weight |
479.746 g/mol |
| SMILES |
C1CC(C(OCCCCCCCCCCCC)=O)(NC(=O)OC2C(C(C)C)CCC(C)C2)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902237 |
