| SpectraBase Spectrum ID |
Doywznemxv3 |
| Name |
(+)-Dimethyl 3-[(1S)-4,6,6-trimethyl-3-oxo-5-vinylcyclohex-4-en-1-yl]but-3-enylmalonate |
| Appearance |
Oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.178023932 u |
| Formula |
C19H26O5 |
| InChI |
InChI=1S/C19H26O5/c1-8-14-12(3)16(20)10-15(19(14,4)5)11(2)9-13(17(21)23-6)18(22)24-7/h8,13,15H,1-2,9-10H2,3-7H3/t15-/m0/s1 |
| InChIKey |
LOTMVNDZPKORIW-HNNXBMFYSA-N |
| Instrument Name |
Jeol JMS-DX 303 GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0004.307 |
| Molecular Weight |
334.412 g/mol |
| Optical Rotation |
[a]D24 = 47.0 (c = 1.0, CHCl3) |
| Quality |
198 |
| SMILES |
C1C(C(=C(C([C@@]1(C(CC(C(=O)OC)C(=O)OC)=C)[H])(C)C)C=C)C)=O |
| SPLASH |
splash10-0f80-3972000000-7140515180f5aab58958 |
| Source of Spectrum |
ARK-2003-64-25 (DOI: 10.3998/ark.5550190.0004.307) |
| Wiley ID |
1899889 |
![(+)-Dimethyl 3-[(1S)-4,6,6-trimethyl-3-oxo-5-vinylcyclohex-4-en-1-yl]but-3-enylmalonate](/api/spectrum/Doywznemxv3/structure.png?h=300&w=458 "(+)-Dimethyl 3-[(1S)-4,6,6-trimethyl-3-oxo-5-vinylcyclohex-4-en-1-yl]but-3-enylmalonate")
