| SpectraBase Spectrum ID |
8GOznrmcSJ6 |
| Name |
Phenylacetylene |
| CAS Registry Number |
536-74-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
102.046950193 u |
| Formula |
C8H6 |
| InChI |
InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H |
| InChIKey |
UEXCJVNBTNXOEH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
102.136 g/mol |
| Nominal Mass |
102 u |
| Quality |
947 |
| Retention Index |
729 |
| SMILES |
C1(=CC=CC=C1)C#C |
| SPLASH |
splash10-0udi-7900000000-3ca1bfdd35aa6edadcff |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Phenylethyne |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021684 |
