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(2,3,4-tribenzoyloxy-4-cyano-butyl) benzoate
SpectraBase Compound ID 6SsPmwMcoDd
InChI InChI=1S/C33H25NO8/c34-21-27(40-31(36)24-15-7-2-8-16-24)29(42-33(38)26-19-11-4-12-20-26)28(41-32(37)25-17-9-3-10-18-25)22-39-30(35)23-13-5-1-6-14-23/h1-20,27-29H,22H2
InChIKey QCXXHDVDQZZPSK-UHFFFAOYSA-N
Mol Weight 563.6 g/mol
Molecular Formula C33H25NO8
Exact Mass 563.158017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqrCF1A5xDe
Name (2,3,4-tribenzoyloxy-4-cyano-butyl) benzoate
CAS Registry Number 71439-38-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H25NO8
InChI InChI=1S/C33H25NO8/c34-21-27(40-31(36)24-15-7-2-8-16-24)29(42-33(38)26-19-11-4-12-20-26)28(41-32(37)25-17-9-3-10-18-25)22-39-30(35)23-13-5-1-6-14-23/h1-20,27-29H,22H2
InChIKey QCXXHDVDQZZPSK-UHFFFAOYSA-N
Molecular Weight 563.562 g/mol
SMILES C(C(C(C(C#N)OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
SPLASH splash10-0a6r-5920000000-1b735b4357d1b43134b2
Source of Spectrum W5-1989-36210-29326
Synonyms Tetra-O-benzoyl-D-xylononitrile benzoic acid (2,3,4-tribenzoyloxy-4-cyano-butyl) ester benzoic acid (2,3,4-tribenzoyloxy-4-cyanobutyl) ester (2,3,4-tribenzoyloxy-4-cyanobutyl) benzoate
Wiley ID 1407048