| SpectraBase Spectrum ID |
AYyTNiccGBt |
| Name |
Methyl 3-((6RS,6RS)-3-methyl-2-oxo-6-(prop-1-en-2-yl)cycloheptyl)butanoate |
| Appearance |
Clear yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H26O3 |
| InChI |
InChI=1S/C16H26O3/c1-10(2)13-7-6-11(3)16(18)14(9-13)12(4)8-15(17)19-5/h11-14H,1,6-9H2,2-5H3/t11-,12?,13-,14?/m1/s1 |
| InChIKey |
DZUZNZIBMNIMFF-NELGMTEASA-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 |
266.381 g/mol |
| Reported Formula |
C16H26O3 |
| SMILES |
C1[C@@](C(=C)C)(CC(C(CC(=O)OC)C)C(=O)[C@](C)(C1)[H])[H] |
| SPLASH |
splash10-0bfu-9400000000-dcd0c120dd6f3ad90156 |
| Sample Comments |
Major diastereomer B |
| Source of Spectrum |
H-103-SM15-11 |
| Wiley ID |
1856283 |
