| SpectraBase Spectrum ID |
FsQ01UZpUkz |
| Name |
((1R*,2R*)-7,8-Dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[D]azepin-2-yl)-phenyl-methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.199093730 u |
| Formula |
C26H27NO3 |
| InChI |
InChI=1S/C26H27NO3/c1-27-15-14-20-16-22(29-2)23(30-3)17-21(20)24(18-10-6-4-7-11-18)25(27)26(28)19-12-8-5-9-13-19/h4-13,16-17,24-25H,14-15H2,1-3H3/t24-,25-/m1/s1 |
| InChIKey |
NMHFNKCSIZHCTM-JWQCQUIFSA-N |
| Molecular Weight |
401.506 g/mol |
| SMILES |
C1=2[C@]([C@](C(=O)C3=CC=CC=C3)(N(C)CCC1=CC(=C(C2)OC)OC)[H])(C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874934 |
![((1R*,2R*)-7,8-Dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-2-yl)-phenyl-methanone](/api/spectrum/FsQ01UZpUkz/structure.png?h=300&w=458 "((1R*,2R*)-7,8-Dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-2-yl)-phenyl-methanone")
