| SpectraBase Spectrum ID |
CsTj7xAnZbF |
| Name |
3-Furanacetic acid, .alpha.-chlorotetrahydro-4,5,5-trimethyl-2-oxo-, methyl ester, [3.alpha.(R*),4.beta.]- |
| Alternate Name(s) |
Chloro derivative of 4-methoxycarbonyl-5,6,6-trimethyldihydropyran-2-one
methyl (2R)-chloro[(3R,4R)-4,5,5-trimethyl-2-oxotetrahydro-3-furanyl]ethanoate |
| CAS Registry Number |
77613-20-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H15ClO4 |
| InChI |
InChI=1S/C10H15ClO4/c1-5-6(7(11)9(13)14-4)8(12)15-10(5,2)3/h5-7H,1-4H3/t5-,6+,7-/m1/s1 |
| InChIKey |
IVYOIYGBJRRBDG-DSYKOEDSSA-N |
| Molecular Weight |
234.679 g/mol |
| SMILES |
C1([C@@]([C@@](C)(C(O1)(C)C)[H])([C@](C(=O)OC)(Cl)[H])[H])=O |
| SPLASH |
splash10-014i-0090000000-6113591fbb3eb936db24 |
| Source of Spectrum |
I-59-298-0 |
| Wiley ID |
1235520 |
![3-Furanacetic acid, .alpha.-chlorotetrahydro-4,5,5-trimethyl-2-oxo-, methyl ester, [3.alpha.(R*),4.beta.]-](/api/spectrum/CsTj7xAnZbF/structure.png?h=300&w=458 "3-Furanacetic acid, .alpha.-chlorotetrahydro-4,5,5-trimethyl-2-oxo-, methyl ester, [3.alpha.(R*),4.beta.]-")
