| SpectraBase Spectrum ID |
JJ0BPFDDfXM |
| Name |
5-Methyl-3-phenylisoxazole |
| CAS Registry Number |
1008-74-8 |
| Classification |
Chemical |
| 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 |
159.068413913 u |
| Formula |
C10H9NO |
| InChI |
InChI=1S/C10H9NO/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3 |
| InChIKey |
FBYQIYSAUFWXQK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
159.188 g/mol |
| Nominal Mass |
159 u |
| Quality |
969 |
| Retention Index |
1389 |
| SMILES |
C=1(C=2C=CC=CC2)ON=C(C1)C |
| SPLASH |
splash10-0006-8900000000-497add658b24cc7ee317 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-methyl-5-phenyl-1,2-oxazole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005145 |
