| SpectraBase Spectrum ID |
4K1CxsAM33f |
| Name |
4-(2-(S)-Isopropyl-5-(R)-methylcyclohexylidene)-2-methylbutyraldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.198365456 u |
| Formula |
C15H26O |
| InChI |
InChI=1S/C15H26O/c1-11(2)15-8-6-12(3)9-14(15)7-5-13(4)10-16/h7,10-13,15H,5-6,8-9H2,1-4H3/b14-7+/t12-,13?,15+/m1/s1 |
| InChIKey |
CLWODHOZSBGAAV-CKTVBVOYSA-N |
| Molecular Weight |
222.372 g/mol |
| SMILES |
C1[C@](C\C([C@](C(C)C)(C1)[H])=C/CC(C=O)C)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853925 |
