| SpectraBase Spectrum ID |
Jojv2sSCDfV |
| Name |
6-Acetoxy-3,7-dimethyl-7-(4-acetoxymethyl-4-hydroxypentyl)-2-cycloheptene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.224974125 u |
| Formula |
C19H32O5 |
| InChI |
InChI=1S/C19H32O5/c1-14-7-8-17(24-16(3)21)18(4,12-9-14)10-6-11-19(5,22)13-23-15(2)20/h9,17,22H,6-8,10-13H2,1-5H3/t17?,18-,19?/m1/s1 |
| InChIKey |
VEMUDDDUHHGHQB-JLAWEPINSA-N |
| Molecular Weight |
340.460 g/mol |
| SMILES |
[C@]1(C(OC(=O)C)CCC(=CC1)C)(CCCC(COC(=O)C)(O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962841 |
