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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 8JPSIiNhU1o
Name 1,4-Butandiol dibenzoate
CAS Registry Number 19224-27-2
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 298.120509056 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 298.338 g/mol
Nominal Mass 298 u
Quality 747
Retention Index 2364
SMILES C=1(C(OCCCCOC(C=2C=CC=CC2)=O)=O)C=CC=CC1
SPLASH splash10-0a4i-3900000000-79bbe5cd7ba80fcd7eb6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1,4-Butylenglycol dibenzoate
Technique GC/MS
Wiley ID DD2024_000382