| SpectraBase Spectrum ID |
F7rJCd7ZLw3 |
| Name |
6Beta,7beta-epoxy-1alphah,5alphah-nortropan-3alpha-ol, (-)-tropate (ester), hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.108085824 u |
| Formula |
C16H20ClNO4 |
| InChI |
InChI=1S/C16H19NO4.ClH/c18-8-11(9-4-2-1-3-5-9)16(19)20-10-6-12-14-15(21-14)13(7-10)17-12;/h1-5,10-15,17-18H,6-8H2;1H/t10-,11?,12-,13+,14+,15-; |
| InChIKey |
PMDQSBZXEATWCG-KDJOADHGSA-N |
| Molecular Weight |
325.792 g/mol |
| SMILES |
[NH2+]1[C@@]2(C[C@](OC(C(CO)C=3C=CC=CC3)=O)(C[C@]1([C@@]1([C@]2(O1)[H])[H])[H])[H])[H].[Cl-] |
| Spectrum/Structure Validation Score (Raman) |
0.91114 |
