| SpectraBase Spectrum ID |
FTiyDqDYKlN |
| Name |
3-Hydroxy-4,5-isopropylidenedioxycyclohexanone |
| Alternate Name(s) |
2,2-dimethyl-7-oxidanyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-one
7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-one
7-hydroxy-2,2-dimethyltetrahydro-1,3-benzodioxol-5(4H)-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H14O4 |
| InChI |
InChI=1S/C9H14O4/c1-9(2)12-7-4-5(10)3-6(11)8(7)13-9/h6-8,11H,3-4H2,1-2H3 |
| InChIKey |
HIBBXJIPTYECSL-UHFFFAOYSA-N |
| Molecular Weight |
186.207 g/mol |
| SMILES |
OC1C2C(OC(O2)(C)C)CC(C1)=O |
| SPLASH |
splash10-00di-0900000000-cd6d227bda5bd14bcd80 |
| Source of Spectrum |
AT-36-2144-7 |
| Wiley ID |
853115 |
