| SpectraBase Spectrum ID |
J24TQYZDg9m |
| Name |
Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.177630011 u |
| Formula |
C16H24O2 |
| InChI |
InChI=1S/C16H24O2/c1-15(2,3)12-8-11(10-17)9-13(14(12)18-7)16(4,5)6/h8-10H,1-7H3 |
| InChIKey |
JTILSNFKCZCROG-UHFFFAOYSA-N |
| Molecular Weight |
248.366 g/mol |
| SMILES |
C1=C(C(=C(C=C1C=O)C(C)(C)C)OC)C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.877962 |
