| SpectraBase Spectrum ID |
9Hfj3ilev3Y |
| Name |
6-ethynyl-1-cyclohepta-1,3,5-trienecarboxylic acid |
| Alternate Name(s) |
6-ethynylcyclohepta-1,3,5-triene-1-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H8O2 |
| InChI |
InChI=1S/C10H8O2/c1-2-8-5-3-4-6-9(7-8)10(11)12/h1,3-6H,7H2,(H,11,12) |
| InChIKey |
PGNORTBTCAZATR-UHFFFAOYSA-N |
| Molecular Weight |
160.172 g/mol |
| SMILES |
OC(C=1CC(C#C)=CC=CC1)=O |
| SPLASH |
splash10-014i-0900000000-2e209a7136c63970b777 |
| Source of Spectrum |
AJ-68-3530-27 |
| Wiley ID |
773515 |
