| SpectraBase Spectrum ID |
KjYgdiL88TE |
| Name |
Methyl biphenyl<4-> |
| CAS Registry Number |
644-08-6 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
168.093900386 u |
| Formula |
C13H12 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey |
ZZLCFHIKESPLTH-UHFFFAOYSA-N |
| Molecular Weight |
168.239 g/mol |
| Nominal Mass |
168 u |
| Number of Peaks |
94 |
| SMILES |
c1cc(ccc1C)-c1ccccc1 |
| SPLASH |
splash10-014i-2900000000-04fd0ebab1d062869d17 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000932 |
