| SpectraBase Spectrum ID |
INxD1ajxXcT |
| Name |
(1R,4S,6R)-4-Acetoxy-6-((tert-butyloxycarbonyl)amino)cyclohept-2-en-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.157622840 u |
| Formula |
C14H23NO5 |
| InChI |
InChI=1S/C14H23NO5/c1-9(16)19-12-6-5-11(17)7-10(8-12)15-13(18)20-14(2,3)4/h5-6,10-12,17H,7-8H2,1-4H3,(H,15,18)/t10-,11-,12+/m0/s1 |
| InChIKey |
ZPUWQYZYWVENMN-SDDRHHMPSA-N |
| SMILES |
C(N[C@@]1(C[C@@](C=C[C@@](C1)(O)[H])(OC(=O)C)[H])[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839379 |
