| SpectraBase Spectrum ID |
7s02C5KwG03 |
| Name |
2-[(3R,5R)-3,5-dihydroxycyclohexylidene]acetic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H14O4 |
| InChI |
InChI=1S/C9H14O4/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h4,7-8,10-11H,2-3,5H2,1H3/t7-,8-/m1/s1 |
| InChIKey |
NIPLRJPVQIRQCC-HTQZYQBOSA-N |
| Molecular Weight |
186.207 g/mol |
| SMILES |
O[C@@]1(CC(C[C@](C1)(O)[H])=CC(=O)OC)[H] |
| SPLASH |
splash10-053r-9700000000-9ce3906c785b070ac066 |
| Source of Spectrum |
F-57-691-35 |
| Synonyms |
methyl 2-[(3R,5R)-3,5-bis(oxidanyl)cyclohexylidene]ethanoate
methyl 2-[(3R,5R)-3,5-dihydroxycyclohexylidene]acetate |
| Wiley ID |
1549425 |
![2-[(3R,5R)-3,5-dihydroxycyclohexylidene]acetic acid methyl ester](/api/spectrum/7s02C5KwG03/structure.png?h=300&w=458 "2-[(3R,5R)-3,5-dihydroxycyclohexylidene]acetic acid methyl ester")
