| SpectraBase Spectrum ID |
E1P9l0DSyzv |
| Name |
(1'R,2'S,5'R)-Menthyl R-2R-methoxycarbonyl-2-methyl-C-5R-cyclohexylpyrrolidine-C-4S-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.303558800 u |
| Formula |
C24H41NO4 |
| InChI |
InChI=1S/C24H41NO4/c1-15(2)18-12-11-16(3)13-20(18)29-22(26)19-14-24(4,23(27)28-5)25-21(19)17-9-7-6-8-10-17/h15-21,25H,6-14H2,1-5H3/t16-,18+,19+,20-,21+,24+/m1/s1 |
| InChIKey |
SPDNMQRMHYSLMW-IMDNIBDASA-N |
| Molecular Weight |
407.595 g/mol |
| SMILES |
[C@]1(C(O[C@]2([C@@](CC[C@](C2)(C)[H])(C(C)C)[H])[H])=O)([C@@](N[C@@](C1)(C(=O)OC)C)(C1CCCCC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895208 |
