| SpectraBase Spectrum ID |
2Xjm9CjhIdy |
| Name |
1-keto-3,4-dihydroisoquinoline-2-carboxylic acid ethyl ester |
| Alternate Name(s) |
1-oxo-3,4-dihydroisoquinoline-2-carboxylic acid ethyl ester
ethyl 1-oxidanylidene-3,4-dihydroisoquinoline-2-carboxylate
ethyl 1-oxo-3,4-dihydroisoquinoline-2-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NO3 |
| InChI |
InChI=1S/C12H13NO3/c1-2-16-12(15)13-8-7-9-5-3-4-6-10(9)11(13)14/h3-6H,2,7-8H2,1H3 |
| InChIKey |
UMUGPXHYFFMCOS-UHFFFAOYSA-N |
| Molecular Weight |
219.240 g/mol |
| SMILES |
C1(N(CCc2ccccc12)C(=O)OCC)=O |
| SPLASH |
splash10-014i-0950000000-00f584cf8932a251668e |
| Source of Spectrum |
H1-48-291-6 |
| Wiley ID |
816223 |
