| SpectraBase Spectrum ID |
61A3CBDd7sK |
| Name |
Isophorone<4-methlyene-> |
| CAS Registry Number |
20548-00-9 |
| 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 |
150.104465070 u |
| Formula |
C10H14O |
| 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/C10H14O/c1-7-5-9(11)6-10(3,4)8(7)2/h5H,2,6H2,1,3-4H3 |
| InChIKey |
MCGQFKNFKWPWAA-UHFFFAOYSA-N |
| Molecular Weight |
150.221 g/mol |
| Nominal Mass |
150 u |
| Number of Peaks |
71 |
| SMILES |
C1(C=C(C(C(C1)(C)C)=C)C)=O |
| SPLASH |
splash10-0a4l-9700000000-12aaf0b68d64e20bb4b5 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001797 |
