| SpectraBase Spectrum ID |
LAb2gZnVlGd |
| Name |
1-Isoquinolinehexanoic acid, 6,7-dimethoxy- |
| CAS Registry Number |
78632-07-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO4 |
| InChI |
InChI=1S/C17H21NO4/c1-21-15-10-12-8-9-18-14(13(12)11-16(15)22-2)6-4-3-5-7-17(19)20/h8-11H,3-7H2,1-2H3,(H,19,20) |
| InChIKey |
BNDYLLTXSZHNFB-UHFFFAOYSA-N |
| Molecular Weight |
303.358 g/mol |
| SMILES |
OC(CCCCCc1c2cc(OC)c(cc2ccn1)OC)=O |
| SPLASH |
splash10-0udi-0090000000-a06c8821c3b6a8c4e33c |
| Source of Spectrum |
K-114-2179-0 |
| Synonyms |
6,7-Dimethoxy-1-isoquinolinhexanoic acid
6-(6,7-dimethoxy-1-isoquinolinyl)hexanoic acid |
| Wiley ID |
1305643 |
