| SpectraBase Spectrum ID |
JaPAD1HO26o |
| Name |
BENZENE, 1-ETHYNYL-2-METHYL- |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
116.062600258 u |
| Formula |
C9H8 |
| InChI |
InChI=1S/C9H8/c1-3-9-7-5-4-6-8(9)2/h1,4-7H,2H3 |
| InChIKey |
MYBSUWNEMXUTAX-UHFFFAOYSA-N |
| Molecular Weight |
116.163 g/mol |
| Nominal Mass |
116 u |
| Number of Peaks |
67 |
| SMILES |
c1(ccccc1C)C#C |
| SPLASH |
splash10-014i-9800000000-dc9e7ab2d1878f99f311 |
| Source of Spectrum |
Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Wiley ID |
MVX001512 |
