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7-(Benzoyloxy)-3-(benzoylbutyl)heptanenitrile

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

7-(Benzoyloxy)-3-(benzoylbutyl)heptanenitrile
SpectraBase Compound ID 38XCab7WUB3
InChI InChI=1S/C25H25NO2/c26-16-15-22(11-6-7-17-28-19-20-8-2-1-3-9-20)25(27)24-14-13-21-10-4-5-12-23(21)18-24/h1-5,8-10,12-14,18,22H,6-7,11,15,17,19H2
InChIKey FPMQXAMQXOGEJY-UHFFFAOYSA-N
Mol Weight 371.48 g/mol
Molecular Formula C25H25NO2
Exact Mass 371.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wJgr5RXGcI
Name 7-(Benzoyloxy)-3-(benzoylbutyl)heptanenitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.188529047 u
Formula C25H25NO2
InChI InChI=1S/C25H25NO2/c26-16-15-22(11-6-7-17-28-19-20-8-2-1-3-9-20)25(27)24-14-13-21-10-4-5-12-23(21)18-24/h1-5,8-10,12-14,18,22H,6-7,11,15,17,19H2
InChIKey FPMQXAMQXOGEJY-UHFFFAOYSA-N
Molecular Weight 371.480 g/mol
SMILES C1(C(=O)C(CC#N)CCCCOCC2=CC=CC=C2)=CC2=CC=CC=C2C=C1