| SpectraBase Spectrum ID |
L7QbDYGbr0Z |
| Name |
Isoamyl benzyl ether |
| CAS Registry Number |
122-73-6 |
| 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 |
178.135765199 u |
| Formula |
C12H18O |
| 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/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 |
| InChIKey |
RXXCIBALSKQCAE-UHFFFAOYSA-N |
| Molecular Weight |
178.275 g/mol |
| Nominal Mass |
178 u |
| Number of Peaks |
79 |
| SMILES |
c1c(cccc1)COCCC(C)C |
| SPLASH |
splash10-0006-9000000000-e700bc3750064d819dac |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000722 |
