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1,4-Butane diol dibenzoate

View entire compound with spectra: 3 NMR, 1 FTIR, and 6 MS (GC)

1,4-Butane diol dibenzoate
SpectraBase Compound ID BhwQZCGRudS
InChI InChI=1S/C18H18O4/c19-17(15-9-3-1-4-10-15)21-13-7-8-14-22-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKey YHOWYTOWCBNTHB-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BboI2xIx0P
Name 1,4-BUTANEDIOL, DIBENZOATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H18O4
InChI InChI=1S/C18H18O4/c19-17(15-9-3-1-4-10-15)21-13-7-8-14-22-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKey YHOWYTOWCBNTHB-UHFFFAOYSA-N
Instrument Name CH5
Molecular Weight 298.1200
SMILES c1ccc(C(OCCCCOC(c2ccccc2)=O)=O)cc1
SPLASH splash10-0a4i-6900000000-7f6a3aa19e4c840c378b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany