| SpectraBase Spectrum ID |
5LtqsvIHqjS |
| Name |
3-Bromo-4,5,6,7-tetrahydroisobenzofuran-1-carboxylic Acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H9BrO3 |
| InChI |
InChI=1S/C9H9BrO3/c10-8-6-4-2-1-3-5(6)7(13-8)9(11)12/h1-4H2,(H,11,12) |
| InChIKey |
BLYYGIVNTAAYPH-UHFFFAOYSA-N |
| Molecular Weight |
245.072 g/mol |
| SMILES |
OC(c1oc(Br)c2c1CCCC2)=O |
| SPLASH |
splash10-0005-0090000000-4605335259abf25aad06 |
| Source of Spectrum |
J-62-1603-7 |
| Synonyms |
3-bromo-4,5,6,7-tetrahydro-2-benzofuran-1-carboxylic acid |
| Wiley ID |
1246465 |
