| SpectraBase Spectrum ID |
1KRABWAhbE |
| Name |
Methyl (1S,2R)-2-(but-2-en-2-yl)cyclooctanecarboxylate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H24O2 |
| InChI |
InChI=1S/C14H24O2/c1-4-11(2)12-9-7-5-6-8-10-13(12)14(15)16-3/h4,12-13H,5-10H2,1-3H3/t12-,13-/m0/s1 |
| InChIKey |
DVTNTJXSDZKDSL-STQMWFEESA-N |
| Instrument Name |
Agilent 6890N-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.72 |
| Molecular Weight |
224.344 g/mol |
| Reported Formula |
C14H24O2 |
| SMILES |
C1CCC[C@@]([C@@](CC1)(C(=CC)C)[H])(C(=O)OC)[H] |
| SPLASH |
splash10-06dj-9840000000-e6bcf7aa1f5b054b8ea1 |
| Sample Comments |
E/Z = 60:40 |
| Source of Spectrum |
BJO-8-SM9-5f |
| Wiley ID |
1867418 |
