SpectraBase Spectrum ID |
2rgIgyH2Z6 |
Name |
3-(2-Hydroxy-2,6,6-trimethylcyclohexyl)-1-methylpropyl acetate |
Comments |
Note: The molecular formula of the structure shown is C15H28O3 - which differs from the formula reported for the mass spectrum (C15H25D3O3) |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C15H25D3O3 |
InChI |
InChI=1S/C15H28O3/c1-11(18-12(2)16)7-8-13-14(3,4)9-6-10-15(13,5)17/h11,13,17H,6-10H2,1-5H3 |
InChIKey |
AJDRQYFBOWMCKA-UHFFFAOYSA-N |
Molecular Weight |
256.386 g/mol |
SMILES |
OC1(CCCC(C1CCC(OC(=O)C)C)(C)C)C |
SPLASH |
splash10-0295-9400000000-dc3b3b29554bb1ce54b9 |
Wiley ID |
1482116 |