| SpectraBase Spectrum ID |
JphdRG8MEyN |
| Name |
Benzyl (2-13C)-2-(2,5,5-trimethyl-1,3-dioxan-2-yl)acetate |
| Appearance |
Colourless oil |
| 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/i9+1 |
| InChIKey |
MDWHASRDEWZZCE-QBZHADDCSA-N |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201812216 |
| Molecular Weight |
279.340 g/mol |
| SMILES |
[13CH2](C1(OCC(CO1)(C)C)C)C(=O)OCc1ccccc1 |
| SPLASH |
splash10-002f-9610000000-92368b969a942a8b8a3f |
| Source of Spectrum |
ACI-58-SM62-S13 |
| Thin-Layer Chromatography |
Rf = 0.41 (cyclohexane/EtOAc, 5:1) |
| Wiley ID |
1840419 |
