| SpectraBase Spectrum ID |
HBTfH7E2YbL |
| Name |
trans-Nerone |
| CAS Registry Number |
41766-71-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C13H22O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h6,9,11-12H,5,7-8H2,1-4H3/t11-,12+/m0/s1 |
| InChIKey |
DZSVIVLGBJKQAP-NWDGAFQWSA-N |
| Molecular Weight |
194.318 g/mol |
| SMILES |
C=1C[C@@](C[C@](C1C)(C(CC)=O)[H])(C(C)C)[H] |
| SPLASH |
splash10-053u-9100000000-1ed5fdad6c4d3ba6e7f6 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Nerone |
| Wiley ID |
1886774 |
