| SpectraBase Spectrum ID |
Hv6yqavjWSH |
| Name |
trans-Ethyl 3-(3,3-Dimethoxypropyl)-6-isobutyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate |
| Appearance |
Colorless liquid |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.224974125 u |
| Formula |
C19H32O5 |
| GC Column |
ZB-1 (20 m x0.18 mm, film thickness 0.18 micrometer) |
| InChI |
InChI=1S/C19H32O5/c1-7-24-19(21)18-13(4)15(8-9-17(22-5)23-6)16(20)11-14(18)10-12(2)3/h12,14,17-18H,7-11H2,1-6H3/t14-,18-/m0/s1 |
| InChIKey |
DLAODIUOQKVINM-KSSFIOAISA-N |
| Instrument Name |
Shimadzu QP 2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/hlca.202300040 |
| Molecular Weight |
340.460 g/mol |
| Quality |
194 |
| SMILES |
C(C)OC(=O)[C@]1(C(=C(C(C[C@@]1(CC(C)C)[H])=O)CCC(OC)OC)C)[H] |
| SPLASH |
splash10-004i-9120000000-07ff5503aea605900edb |
| Sample Comments |
Trans isomer, dr = 2:3 |
| Source of Spectrum |
H-106-9-24 (DOI: 10.1002/hlca.202300040) |
| Wiley ID |
1911470 |
