| SpectraBase Spectrum ID |
CJqDjN6Lq3T |
| Name |
(S)-N-(Benzyloxycarbonyl)-2-(1-adamantyl)-2-aminoethanol acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.209658414 u |
| Formula |
C22H29NO4 |
| InChI |
InChI=1S/C22H29NO4/c1-15(24)26-14-20(23-21(25)27-13-16-5-3-2-4-6-16)22-10-17-7-18(11-22)9-19(8-17)12-22/h2-6,17-20H,7-14H2,1H3,(H,23,25)/t17-,18+,19-,20-,22?/m1/s1 |
| InChIKey |
VVHIPLOVEZWXPA-JJHZRONBSA-N |
| Molecular Weight |
371.477 g/mol |
| SMILES |
C12([C@](NC(=O)OCC=3C=CC=CC3)(COC(=O)C)[H])C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939448 |
