| SpectraBase Spectrum ID |
1TWrKvjZ2XS |
| Name |
1,2,3,4-tetrahydroisoquinoline-1-acetic acid |
| CAS Registry Number |
105400-81-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H13NO2 |
| InChI |
InChI=1S/C11H13NO2/c13-11(14)7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2,(H,13,14) |
| InChIKey |
BUAVPRGEIAVFBF-UHFFFAOYSA-N |
| Molecular Weight |
191.230 g/mol |
| SMILES |
OC(CC1c2c(cccc2)CCN1)=O |
| SPLASH |
splash10-001i-0900000000-b62a95cbda3379e06e52 |
| Source of Spectrum |
J-52-619-6 |
| Synonyms |
1,2,3,4-tetrahydro-1-isoquinolinylacetic acid
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanoic acid
2-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)acetate
2-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethanoate |
| Wiley ID |
1187534 |
