| SpectraBase Spectrum ID |
CihWfevwJs2 |
| Name |
(+/-)-7-beta-(2-acetoxy-1-alpha-methylethyl)-4-beta-methyl-2-cyclohepten-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-9-4-6-12(13(15)7-5-9)10(2)8-16-11(3)14/h5,7,9-10,12H,4,6,8H2,1-3H3/t9-,10+,12-/m0/s1 |
| InChIKey |
KEKMYKKTXMFFCR-UMNHJUIQSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
C1(=O)C=C[C@](CC[C@]1([C@@](COC(=O)C)(C)[H])[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894376 |
