| SpectraBase Spectrum ID |
BRljMJfgX4B |
| Name |
1-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylic acid methyl ester |
| Alternate Name(s) |
1-[(tert-butylamino)-oxomethyl]-1H-isoquinoline-2-carboxylic acid methyl ester
methyl 1-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20N2O3 |
| InChI |
InChI=1S/C16H20N2O3/c1-16(2,3)17-14(19)13-12-8-6-5-7-11(12)9-10-18(13)15(20)21-4/h5-10,13H,1-4H3,(H,17,19) |
| InChIKey |
PEDUYVUQRRTUBR-UHFFFAOYSA-N |
| Molecular Weight |
288.347 g/mol |
| SMILES |
N(C(C1N(C=Cc2ccccc12)C(=O)OC)=O)C(C)(C)C |
| SPLASH |
splash10-000i-0900000000-128e192395f8b7642522 |
| Source of Spectrum |
F-69-3552-2 |
| Wiley ID |
1595128 |
