| SpectraBase Spectrum ID |
3O7LyVsMqee |
| Name |
2-(phenylmethyl)-1H-isoquinoline-3-carboxylic acid methyl ester |
| Alternate Name(s) |
2-benzyl-1H-isoquinoline-3-carboxylic acid methyl ester
methyl 2-(phenylmethyl)-1H-isoquinoline-3-carboxylate
methyl 2-benzyl-1H-isoquinoline-3-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H17NO2 |
| InChI |
InChI=1S/C18H17NO2/c1-21-18(20)17-11-15-9-5-6-10-16(15)13-19(17)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3 |
| InChIKey |
WVLCZILEJQCANU-UHFFFAOYSA-N |
| Molecular Weight |
279.339 g/mol |
| SMILES |
C1N(C(=Cc2ccccc12)C(=O)OC)Cc1ccccc1 |
| SPLASH |
splash10-0006-9010000000-685f8df946bc935134d0 |
| Source of Spectrum |
J-65-5473-10 |
| Wiley ID |
1533121 |
