SpectraBase Spectrum ID |
3ee3CZrE8JC |
Name |
O2-butyl O1-methyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C13H12D4O4 |
InChI |
InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h5-8H,3-4,9H2,1-2H3/i5D,6D,7D,8D |
InChIKey |
XXFSYINDUHLBIL-KDWZCNHSSA-N |
Instrument Name |
Thermo Fisher Scientific TSQ |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/jssc.202000316 |
Molecular Weight |
240.291 g/mol |
SMILES |
c1(c(c(c(c(c1[D])[D])C(OCCCC)=O)C(=O)OC)[D])[D] |
SPLASH |
splash10-0gb9-2900000000-fe2b83460661297b6de7 |
Source of Spectrum |
SEP-43-SM14-MBP-Me-d4 |
Wiley ID |
1849407 |