| SpectraBase Spectrum ID |
BTR3F3EXGA6 |
| 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)12-8-11(9(2)3)7-6-10(4)13(12)15/h10-12H,2,5-8H2,1,3-4H3/t10-,11+,12?/m0/s1 |
| InChIKey |
YBZZTYSFECTBFM-WIKAKEFZSA-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])C(=O)OCC)=O)(C)[H] |
| SPLASH |
splash10-05ot-9500000000-fc0f92f2b98cbc136e74 |
| Sample Comments |
dr = 2:1 |
| Source of Spectrum |
H-103-SM11-8c |
| Wiley ID |
1856304 |
