| SpectraBase Spectrum ID |
8YePFTzVI6F |
| Name |
Cyclohexanecarboxylic acid, 2-(acetyloxy)-1-(1-methyl-4-oxo-2,5-cyclohexadien-1-yl)-, methyl ester, cis- |
| CAS Registry Number |
79239-14-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O5 |
| InChI |
InChI=1S/C17H22O5/c1-12(18)22-14-6-4-5-9-17(14,15(20)21-3)16(2)10-7-13(19)8-11-16/h7-8,10-11,14H,4-6,9H2,1-3H3/t14-,17-/m0/s1 |
| InChIKey |
HSODFXLJNPVZIK-YOEHRIQHSA-N |
| Molecular Weight |
306.358 g/mol |
| SMILES |
[C@]1(C2(C=CC(C=C2)=O)C)([C@@](OC(=O)C)(CCCC1)[H])C(=O)OC |
| SPLASH |
splash10-0a4i-0900000000-d0ef441a3e1bbfc86ca0 |
| Source of Spectrum |
KC-1981-1620-0 |
| Synonyms |
4-(2-Acetoxy-1-methoxycarbonyl-cyclohexyl)-4-methylcyclohexa-2,5-dienone
methyl (1S,2S)-2-(acetyloxy)-1-(1-methyl-4-oxo-2,5-cyclohexadien-1-yl)cyclohexanecarboxylate |
| Wiley ID |
1308070 |
