![cis-4a,5,cis-4a,9b-7,8-dimethoxy-2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-1H-indeno[1,2-b]pyridin, hydrochloride](/api/spectrum/IvbLOl1tngS/structure.png?h=300&w=458 "cis-4a,5,cis-4a,9b-7,8-dimethoxy-2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-1H-indeno[1,2-b]pyridin, hydrochloride")
| SpectraBase Compound ID | K9wrfo0Oxer |
|---|---|
| InChI | InChI=1S/C21H25NO2.ClH/c1-22-11-7-10-15-20(14-8-5-4-6-9-14)16-12-18(23-2)19(24-3)13-17(16)21(15)22;/h4-6,8-9,12-13,15,20-21H,7,10-11H2,1-3H3;1H/t15-,20+,21-;/m1./s1 InChI=1S/C21H25NO2.ClH/c1-22-11-7-10-15-20(14-8-5-4-6-9-14)16-12-18(23-2)19(24-3)13-17(16)21(15)22;/h4-6,8-9,12-13,15,20-21H,7,10-11H2,1-3H3;1H/t15-,20+,21-;/m0./s1 |
| InChIKey | CBMSZDIFOIFBDQ-OTYVUIITSA-N |
| Mol Weight | 359.9 g/mol |
| Molecular Formula | C21H26ClNO2 |
| Exact Mass | 359.165207 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IvbLOl1tngS |
|---|---|
| Name | cis-4A,5,cis-4A,9B-7,8-Dimethoxy-2,3,4,4A,5,9B-hexahydro-1-methyl-5-phenyl-1H-indeno[1,2-B]pyridin, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.165206779 u |
| Formula | C21H26ClNO2 |
| InChI | InChI=1S/C21H25NO2.ClH/c1-22-11-7-10-15-20(14-8-5-4-6-9-14)16-12-18(23-2)19(24-3)13-17(16)21(15)22;/h4-6,8-9,12-13,15,20-21H,7,10-11H2,1-3H3;1H/t15-,20+,21-;/m1./s1 |
| InChIKey | CBMSZDIFOIFBDQ-OTYVUIITSA-N |
| Molecular Weight | 359.897 g/mol |
| SMILES | Cl.C=1C(=CC=CC1)[C@@]1(C=2C=C(C(=CC2[C@@]2(N(CCC[C@]12[H])C)[H])OC)OC)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.978729 |