| SpectraBase Spectrum ID |
39wxNqH1N9F |
| Name |
Methyl 2-methyl-3-[2-(1-benzylhexahydroazepino)propanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27NO2 |
| InChI |
InChI=1S/C18H27NO2/c1-15(18(20)21-2)13-17-11-7-4-8-12-19(17)14-16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3 |
| InChIKey |
VKATZWUHELZUSA-UHFFFAOYSA-N |
| Molecular Weight |
289.419 g/mol |
| SMILES |
C1(N(CCCCC1)Cc1ccccc1)CC(C(=O)OC)C |
| SPLASH |
splash10-000i-0900000000-63f87b2ca25ef30e9106 |
| Source of Spectrum |
F-50-13706-10 |
| Wiley ID |
790278 |
