| SpectraBase Spectrum ID |
L3VOxr1nuA9 |
| Name |
Ethyl (1RS,3RS,6RS)-1-((R)-1-cyanopropan-2-yl)-3-methyl-2-oxo-6-(prop-1-en-2-yl)cycloheptane-1-carboxylate |
| Appearance |
Clear yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27NO3 |
| InChI |
InChI=1S/C18H27NO3/c1-6-22-17(21)18(14(5)9-10-19)11-15(12(2)3)8-7-13(4)16(18)20/h13-15H,2,6-9,11H2,1,3-5H3/t13-,14-,15-,18-/m1/s1 |
| InChIKey |
TWKGVFNXMIRXPJ-ATNYBXOESA-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 |
305.418 g/mol |
| Reported Formula |
C18H27NO3 |
| SMILES |
C1C[C@](C([C@@](C[C@@]1(C(C)=C)[H])([C@](C)(CC#N)[H])C(=O)OCC)=O)(C)[H] |
| SPLASH |
splash10-01r7-9510000000-693287754b5a55a72520 |
| Sample Comments |
dr = 2:1 |
| Source of Spectrum |
H-103-SM13-9 |
| Wiley ID |
1856307 |
