| SpectraBase Spectrum ID |
BuAuUSJ0pQx |
| Name |
(E)-1-((4R,7S)-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+/t12-,13+/m0/s1 |
| InChIKey |
LWAMDCYDSKJVSR-JQSFKPKSSA-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 |
| Reported Formula |
C15H23O |
| SMILES |
C1[C@@](C(=C)C)(CC=C([C@@](C)(C1)[H])C(=O)\C=C\C)[H] |
| SPLASH |
splash10-014l-9400000000-12d2c1a90bf74be5b467 |
| Sample Comments |
E/Z = 87:13 |
| Source of Spectrum |
H-103-SM21-13a |
| Wiley ID |
1856289 |
