| SpectraBase Spectrum ID |
717Ak47JdxR |
| Name |
1-Methylcyclohexyl acetate (D3) |
| Alternate Name(s) |
Cyclohexanol, 1-methyl-, acetate (D3)
(1-Methylcyclohexyl) ethanoate (D3)
Acetic acid (1-methylcyclohexyl) ester (D3) |
| CAS Registry Number |
16737-30-7 |
| Comments |
Note: The molecular formula of the structure shown is C9H16O2 - which differs from the formula reported for the mass spectrum (C9H13D3O2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H13D3O2 |
| InChI |
InChI=1S/C9H16O2/c1-8(10)11-9(2)6-4-3-5-7-9/h3-7H2,1-2H3 |
| InChIKey |
VVDZWMOQABVVHC-UHFFFAOYSA-N |
| Molecular Weight |
156.225 g/mol |
| SMILES |
C1CCCC(C1)(OC(=O)C)C |
| SPLASH |
splash10-007k-9100000000-0ccd35aeaf2ee2d043d7 |
| Wiley ID |
1481752 |
