| SpectraBase Spectrum ID |
CpgDpGhwZS9 |
| Name |
Methyl-1,4-cyclohexadiene |
| CAS Registry Number |
4313-57-9 |
| 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 |
94.078250322 u |
| Formula |
C7H10 |
| 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/C7H10/c1-7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3 |
| InChIKey |
QDXQAOGNBCOEQX-UHFFFAOYSA-N |
| Molecular Weight |
94.157 g/mol |
| Nominal Mass |
94 u |
| Number of Peaks |
39 |
| SMILES |
CC=1CC=CCC1 |
| SPLASH |
splash10-004i-9000000000-a97bee32c0842fa690a8 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001855 |
