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1,3-benzenedicarboxylic acid bis(2,2-dideuteropentyl) ester

View entire compound with spectra: 1 MS (GC)

1,3-benzenedicarboxylic acid bis(2,2-dideuteropentyl) ester
SpectraBase Compound ID 4MlgS9wdKOP
InChI InChI=1S/C18H26O4/c1-3-5-7-12-21-17(19)15-10-9-11-16(14-15)18(20)22-13-8-6-4-2/h9-11,14H,3-8,12-13H2,1-2H3/i7D2,8D2
InChIKey KHVWJDHBKQEWMR-OSEHSPPNSA-N
Mol Weight 310.43 g/mol
Molecular Formula C18H222D4O4
Exact Mass 310.208216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GiFHPfvrhLe
Name 1,3-benzenedicarboxylic acid bis(2,2-dideuteropentyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22D4O4
InChI InChI=1S/C18H26O4/c1-3-5-7-12-21-17(19)15-10-9-11-16(14-15)18(20)22-13-8-6-4-2/h9-11,14H,3-8,12-13H2,1-2H3/i7D2,8D2
InChIKey KHVWJDHBKQEWMR-OSEHSPPNSA-N
Molecular Weight 310.426 g/mol
SMILES C(c1cc(C(=O)OCC(CCC)([2D])[2D])ccc1)(=O)OCC(CCC)([2D])[2D]
SPLASH splash10-01b9-6970000000-faafcaa859dd78917b1b
Source of Spectrum O-20-657-11
Wiley ID 1308250