| SpectraBase Spectrum ID |
FfY5FvDpiRP |
| Name |
1,3-Benzodioxole, 5-ethynyl- |
| CAS Registry Number |
57134-53-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H6O2 |
| InChI |
InChI=1S/C9H6O2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h1,3-5H,6H2 |
| InChIKey |
XMXCRJLWEKHZAV-UHFFFAOYSA-N |
| Molecular Weight |
146.145 g/mol |
| SMILES |
C(#C)c1cc2OCOc2cc1 |
| SPLASH |
splash10-0002-0900000000-70c514ce666587b249b9 |
| Source of Spectrum |
KC-1990-2784-0 |
| Synonyms |
5-Ethynyl-1,3-benzodioxole
5-Ethynylbenzo-1,3-dioxole
EINECS 260-583-4 |
| Wiley ID |
1144321 |
