| SpectraBase Spectrum ID |
8XlURDkAKgi |
| Name |
1H-isoquinoline-2,3-dicarboxylic acid O2-tert-butyl ester O3-ethyl ester |
| Alternate Name(s) |
2-O-tert-butyl 3-O-ethyl 1H-isoquinoline-2,3-dicarboxylate
O2-tert-butyl O3-ethyl 1H-isoquinoline-2,3-dicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO4 |
| InChI |
InChI=1S/C17H21NO4/c1-5-21-15(19)14-10-12-8-6-7-9-13(12)11-18(14)16(20)22-17(2,3)4/h6-10H,5,11H2,1-4H3 |
| InChIKey |
KZBYOKMQBXTJRR-UHFFFAOYSA-N |
| Molecular Weight |
303.358 g/mol |
| SMILES |
C1N(C(=Cc2ccccc12)C(=O)OCC)C(=O)OC(C)(C)C |
| SPLASH |
splash10-0udi-0090000000-fd343d7555e11e220982 |
| Source of Spectrum |
J-65-5473-17 |
| Wiley ID |
1533113 |
