| SpectraBase Spectrum ID |
4Kj2sSybcO |
| Name |
Guaiacol |
| CAS Registry Number |
90-05-1 |
| 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 |
124.052429496 u |
| Formula |
C7H8O2 |
| 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/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 |
| InChIKey |
LHGVFZTZFXWLCP-UHFFFAOYSA-N |
| Molecular Weight |
124.139 g/mol |
| Nominal Mass |
124 u |
| Number of Peaks |
67 |
| SMILES |
Oc1c(OC)cccc1 |
| SPLASH |
splash10-0pir-9600000000-6bcbb7cc5f1a8ab15ec7 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000623 |
