| SpectraBase Spectrum ID |
CI7IbscRFnm |
| Name |
Demethylmesembranol isomer-2 2ac @P1270 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.188922968 u |
| Formula |
C20H27NO5 |
| InChI |
InChI=1S/C20H27NO5/c1-13(22)25-16-7-8-20(9-10-21(3)19(20)12-16)15-5-6-17(24-4)18(11-15)26-14(2)23/h5-6,11,16,19H,7-10,12H2,1-4H3 |
| InChIKey |
IWCPNHZSZZQVKT-UHFFFAOYSA-N |
| Molecular Weight |
361.438 g/mol |
| SMILES |
C1C2N(C)CCC2(CCC1OC(=O)C)C=1C=CC(=C(C1)OC(=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929642 |
