| SpectraBase Spectrum ID |
1wvIVfqfG2r |
| Name |
Benzyl (1-13C)-2-(2,5,5-trimethyl-1,3-dioxan-2-yl)acetate |
| Comments |
Original formula: C15[13C]H22O4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-15(2)11-19-16(3,20-12-15)9-14(17)18-10-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3/i10+1 |
| InChIKey |
MDWHASRDEWZZCE-DETAZLGJSA-N |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201905827 |
| Molecular Weight |
279.340 g/mol |
| SMILES |
[13CH2](c1ccccc1)OC(CC1(OCC(CO1)(C)C)C)=O |
| SPLASH |
splash10-002f-9710000000-10c4171f6cb8eee5edb5 |
| Source of Spectrum |
QE-26-SM121-S11 |
| Thin-Layer Chromatography |
Rf = 0.28 (Cyclohexane/EA, 10/1) |
| Wiley ID |
1858522 |
