| SpectraBase Spectrum ID |
9UC5ueWecd8 |
| Name |
2-Cyclohexene-1-propanoic acid, 5-(acetyloxy)-2,6,6-trimethyl-, methyl ester, (1S-trans)- |
| CAS Registry Number |
79400-52-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H24O4 |
| InChI |
InChI=1S/C15H24O4/c1-10-6-8-13(19-11(2)16)15(3,4)12(10)7-9-14(17)18-5/h6,12-13H,7-9H2,1-5H3/t12-,13-/m0/s1 |
| InChIKey |
TXZNFHCLAGGBLC-STQMWFEESA-N |
| Molecular Weight |
268.353 g/mol |
| SMILES |
C1([C@](C(C)=CC[C@@]1(OC(=O)C)[H])(CCC(=O)OC)[H])(C)C |
| SPLASH |
splash10-00xu-3910000000-f926bc386458ee49e19c |
| Source of Spectrum |
H-64-950-0 |
| Synonyms |
(+)-(1'S,5'S)-Methyl 3-(5'-acetoxy-2',6',6'-trimethyl-2'-cyclohexenyl)propionate
Methyl 3-[(1S,5S)-5-(acetyloxy)-2,6,6-trimethyl-2-cyclohexen-1-yl]propanoate |
| Wiley ID |
1272158 |
