| SpectraBase Spectrum ID |
A14T3oPHHFK |
| Name |
Methyl nerolate |
| CAS Registry Number |
1862-61-9 |
| 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 |
182.130679818 u |
| Formula |
C11H18O2 |
| 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/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8- |
| InChIKey |
ACOBBFVLNKYODD-NTMALXAHSA-N |
| Molecular Weight |
182.263 g/mol |
| Nominal Mass |
182 u |
| Number of Peaks |
102 |
| SMILES |
C(\C(=C/C(OC)=O)C)CC=C(C)C |
| SPLASH |
splash10-014l-9200000000-37c15010683f4aa833ab |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001891 |
