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4-(4-(tert-butylperoxy)-4-phenylbutanoyl)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-(4-(tert-butylperoxy)-4-phenylbutanoyl)benzonitrile
SpectraBase Compound ID Dt71sArMoxp
InChI InChI=1S/C21H23NO3/c1-21(2,3)25-24-20(18-7-5-4-6-8-18)14-13-19(23)17-11-9-16(15-22)10-12-17/h4-12,20H,13-14H2,1-3H3
InChIKey QXWUVNHVDDFXMH-UHFFFAOYSA-N
Mol Weight 337.42 g/mol
Molecular Formula C21H23NO3
Exact Mass 337.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eZ76p4UIKN
Name 4-(4-(tert-butylperoxy)-4-phenylbutanoyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO3
InChI InChI=1S/C21H23NO3/c1-21(2,3)25-24-20(18-7-5-4-6-8-18)14-13-19(23)17-11-9-16(15-22)10-12-17/h4-12,20H,13-14H2,1-3H3
InChIKey QXWUVNHVDDFXMH-UHFFFAOYSA-N
Molecular Weight 337.419 g/mol
SMILES c1(C(OOC(C)(C)C)CCC(c2ccc(cc2)C#N)=O)ccccc1
SPLASH splash10-000t-0790000000-e10530307947b31994c7
Source of Spectrum ACI-53-SMS9-7a
Wiley ID 1782409