| SpectraBase Spectrum ID |
tpeEa9n3WK |
| Name |
Benzaldehyde, 2,4,5-trimethyl- (D1) |
| Alternate Name(s) |
2,4,5-Trimethylbenzaldehyde (D1) |
| CAS Registry Number |
5779-72-6 |
| Comments |
Note: The molecular formula of the structure shown is C10H12O - which differs from the formula reported for the mass spectrum (C10H11DO) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H11DO |
| InChI |
InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3 |
| InChIKey |
LROJZZICACKNJL-UHFFFAOYSA-N |
| Molecular Weight |
148.205 g/mol |
| SMILES |
Cc1cc(C)c(cc1C)C=O |
| SPLASH |
splash10-0002-1900000000-8b7394b8ace3aa5a384d |
| Source of Spectrum |
OS-6-320-0 |
| Wiley ID |
1145634 |
