| SpectraBase Spectrum ID |
2juxRZWuXVT |
| Name |
Benzaldehyde, 3-(4-chloro-2-isopropyl-5-methylphenoxymethyl)-4-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.117922233 u |
| Formula |
C19H21ClO3 |
| InChI |
InChI=1S/C19H21ClO3/c1-12(2)16-9-17(20)13(3)7-19(16)23-11-15-8-14(10-21)5-6-18(15)22-4/h5-10,12H,11H2,1-4H3 |
| InChIKey |
BSWWEPRBROHIFH-UHFFFAOYSA-N |
| Molecular Weight |
332.827 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)Cl)C)OCC1=C(C=CC(=C1)C=O)OC)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921941 |
