| SpectraBase Spectrum ID |
GLIrKRamT8U |
| Name |
(1R*,2S*)-7,8-Dimethoxy-2-(methoxycarbonyl)-N-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine |
| Alternate Name(s) |
(1R*,2S*)-7,8-Dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-2-carboxylic acid methyl ester
methyl (4S,5R)-7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25NO4 |
| InChI |
InChI=1S/C21H25NO4/c1-22-11-10-15-12-17(24-2)18(25-3)13-16(15)19(20(22)21(23)26-4)14-8-6-5-7-9-14/h5-9,12-13,19-20H,10-11H2,1-4H3/t19-,20+/m1/s1 |
| InChIKey |
XCBIMDSPIRLLJG-UXHICEINSA-N |
| Molecular Weight |
355.434 g/mol |
| SMILES |
c12[C@]([C@](N(C)CCc2cc(c(c1)OC)OC)(C(=O)OC)[H])(c1ccccc1)[H] |
| SPLASH |
splash10-0002-0090000000-4418270845006678e02a |
| Source of Spectrum |
U1-2010-4399-1a-c |
| Wiley ID |
1664369 |
