| SpectraBase Spectrum ID |
E85Q4NkW8kM |
| Name |
3-((3RS,6RS)-3-methyl-2-oxo-6-(prop-1-en-2-yl)cycloheptyl)butanenitrile |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H23NO |
| InChI |
InChI=1S/C15H23NO/c1-10(2)13-6-5-12(4)15(17)14(9-13)11(3)7-8-16/h11-14H,1,5-7,9H2,2-4H3/t11?,12-,13-,14?/m1/s1 |
| InChIKey |
GLGBTWYEUUAKOQ-CEUNDQEZSA-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 |
233.355 g/mol |
| Reported Formula |
C15H23NO |
| SMILES |
C1[C@@](C(=C)C)(CC(C(CC#N)C)C(=O)[C@](C)(C1)[H])[H] |
| SPLASH |
splash10-03dm-9500000000-10243a165ef971d51af7 |
| Sample Comments |
major diastereomer B, dr = 29:5 |
| Source of Spectrum |
H-103-SM14-10 |
| Wiley ID |
1856281 |
