| SpectraBase Spectrum ID |
2nDKOeTBrrC |
| Name |
Avobenzone |
| CAS Registry Number |
70356-09-1 |
| Classification |
Sunscreen agent |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
310.156894565 u |
| Formula |
C20H22O3 |
| InChI |
InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3 |
| InChIKey |
XNEFYCZVKIDDMS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
310.393 g/mol |
| Nominal Mass |
310 u |
| Quality |
954 |
| Retention Index |
2274 |
| SMILES |
C=1(C(C)(C)C)C=CC(C(CC(C=2C=CC(=CC2)OC)=O)=O)=CC1 |
| SPLASH |
splash10-06ri-2912000000-8599f8a987d03395a932 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034262 |
