| SpectraBase Spectrum ID |
B2CW4NIKQTO |
| Name |
7-Butyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester |
| Alternate Name(s) |
(phenylmethyl) 7-butyl-2,3,4,5-tetrahydroazepine-1-carboxylate
7-butyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester
benzyl 7-butyl-2,3,4,5-tetrahydroazepine-1-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H25NO2 |
| InChI |
InChI=1S/C18H25NO2/c1-2-3-12-17-13-8-5-9-14-19(17)18(20)21-15-16-10-6-4-7-11-16/h4,6-7,10-11,13H,2-3,5,8-9,12,14-15H2,1H3 |
| InChIKey |
KLRJFFNHBFBQEG-UHFFFAOYSA-N |
| Molecular Weight |
287.403 g/mol |
| SMILES |
C1N(C(=CCCC1)CCCC)C(=O)OCc1ccccc1 |
| SPLASH |
splash10-0006-9000000000-8447efafab368212c661 |
| Source of Spectrum |
J-66-2465-37 |
| Wiley ID |
1534963 |
