| SpectraBase Spectrum ID |
AHRYnC3JPzp |
| Name |
(E)-1-(7-methyl-4-(prop-1-en-2-yl)cyclohept-1-en-1-yl)but-2-en-1-one |
| Appearance |
Clear yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-5-6-15(16)14-10-9-13(11(2)3)8-7-12(14)4/h5-6,10,12-13H,2,7-9H2,1,3-4H3/b6-5+ |
| InChIKey |
LWAMDCYDSKJVSR-AATRIKPKSA-N |
| Instrument Name |
Agilent 7890A-5975C or Thermo Scientific Trace 1310-TSQ 8000 Evo |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/hlca.202000129 |
| Molecular Weight |
218.340 g/mol |
| SMILES |
C1C(C(=C)C)CC=C(C(C)C1)C(=O)\C=C\C |
| SPLASH |
splash10-014l-9400000000-d640152377b456be55e5 |
| Sample Comments |
diastereomer, dr = 1:1 |
| Source of Spectrum |
H-103-SM19-13-trans |
| Wiley ID |
1856288 |
