| SpectraBase Spectrum ID |
1bzYPLtUJHR |
| Name |
(2S,3S)-2,3-dimethyl-4-phenyl-butanal |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
176.120115134 u |
| Formula |
C12H16O |
| InChI |
InChI=1S/C12H16O/c1-10(11(2)9-13)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/t10-,11+/m0/s1 |
| InChIKey |
VQGTZQHEFYJUMA-WDEREUQCSA-N |
| Instrument Name |
Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201601911 |
| Molecular Weight |
176.259 g/mol |
| Quality |
221 |
| Reported Formula |
C12H16O |
| SMILES |
C1(C[C@@]([C@](C)(C=O)[H])(C)[H])=CC=CC=C1 |
| SPLASH |
splash10-014i-4900000000-0dadfcc97a7aedf8445b |
| Sample Comments |
dr = 95:5 |
| Source of Spectrum |
QE-22-SM31-anti-4c (DOI: 10.1002/chem.201601911) |
| Wiley ID |
1903510 |
