| SpectraBase Spectrum ID |
LqufpwFuCmt |
| Name |
Methyl (1S,4R)-4-hydroxy-2,3-dimethylcyclohex-2-ene-1-carboxylate |
| Appearance |
Colorless needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H16O3 |
| InChI |
InChI=1S/C10H16O3/c1-6-7(2)9(11)5-4-8(6)10(12)13-3/h8-9,11H,4-5H2,1-3H3/t8-,9+/m0/s1 |
| InChIKey |
ASASTBTYPQPWMY-DTWKUNHWSA-N |
| Instrument Name |
Finnigan MAT 8200 or Finnigan MAT 95 or Finnigan MAT 95 XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.24820/ark.5550190.p011.422 |
| Molecular Weight |
184.235 g/mol |
| Optical Rotation |
[a]D20 = -17.8 (c = 1.01 CH2Cl2) |
| Reported Formula |
C10H16O3 |
| SMILES |
O[C@]1(C(=C([C@@](C(OC)=O)(CC1)[H])C)C)[H] |
| SPLASH |
splash10-0aou-3900000000-5f42900b983298006b3b |
| Source of Spectrum |
ARK-2021-50-5 |
| Thin-Layer Chromatography |
Rf = 0.51 (silica gel, petroleum ether/EtOAc, 1:1) |
| Wiley ID |
1873115 |
