| SpectraBase Spectrum ID |
AhAbIzvPqtc |
| Name |
Ethyl (4RS,7SR)-7-methyl-2-oxo-4-(prop-1-en-2-yl)cycloheptane-1-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H22O3 |
| InChI |
InChI=1S/C14H22O3/c1-5-17-14(16)13-10(4)6-7-11(9(2)3)8-12(13)15/h10-11,13H,2,5-8H2,1,3-4H3/t10-,11+,13?/m0/s1 |
| InChIKey |
HQFAYYNSLHEXNX-VUDPYIQVSA-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 |
238.327 g/mol |
| SMILES |
C1C[C@@](C(C(C[C@@]1(C(C)=C)[H])=O)C(=O)OCC)(C)[H] |
| SPLASH |
splash10-054k-9600000000-808bda6d876174184a53 |
| Sample Comments |
dr = 2:1 |
| Source of Spectrum |
H-103-SM11-8c |
| Wiley ID |
1856305 |
