| SpectraBase Spectrum ID |
6UGJMsyNAVL |
| Name |
Geosmin |
| CAS Registry Number |
19700-21-1 |
| 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 |
182.167065327 u |
| Formula |
C12H22O |
| 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/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1 |
| InChIKey |
JLPUXFOGCDVKGO-TUAOUCFPSA-N |
| Molecular Weight |
182.307 g/mol |
| Nominal Mass |
182 u |
| Number of Peaks |
65 |
| SMILES |
O[C@@]12CCCC[C@@]2(CCC[C@@]1(C)[H])C |
| SPLASH |
splash10-03di-9700000000-896826610b5505e48114 |
| Source |
STD FROM SUPELCO |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000605 |
