| SpectraBase Spectrum ID |
42gCmCBwHcm |
| Name |
CINERINE 2 |
| CAS Registry Number |
121-20-0 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
360.193673997 u |
| Formula |
C21H28O5 |
| InChI |
InChI=1S/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7+,12-10+ |
| InChIKey |
SHCRDCOTRILILT-DCXZXJRMSA-N |
| Molecular Weight |
360.450 g/mol |
| Nominal Mass |
360 u |
| Number of Peaks |
109 |
| SMILES |
C\C=C\CC1=C(C(CC1=O)OC(=O)C1C(C1(C)C)\C=C/(C)C(=O)OC)C |
| SPLASH |
splash10-0a4l-4900000000-cfe4628d706c03367aca |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
3-[(2E)-2-butenyl]-2-methyl-4-oxo-2-cyclopenten-1-yl 3-[(1E)-3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethylcyclopropanecarboxylate
3-[2-butenyl]-2-methyl-4-oxo-2-cyclopenten-1-yl 3-[3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethylcyclopropanecarboxylate |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_4227 |
![Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, [1R-[1.alpha.[S*(Z)],3.beta.(E)]]-](/api/spectrum/42gCmCBwHcm/structure.png?h=300&w=458 "Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, [1R-[1.alpha.[S*(Z)],3.beta.(E)]]-")
