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5-Phenoxypentanenitrile

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

5-Phenoxypentanenitrile
SpectraBase Compound ID INd92mPcvfu
InChI InChI=1S/C11H13NO/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,10H2
InChIKey VGTBEYRZXSEIMZ-UHFFFAOYSA-N
Mol Weight 175.23 g/mol
Molecular Formula C11H13NO
Exact Mass 175.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G43lP8pDZls
Name 5-Phenoxypentanenitrile
Alternate Name(s) 5-Phenoxyvaleronitrile Pentanenitrile, 5-phenoxy-
CAS Registry Number 16728-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO
InChI InChI=1S/C11H13NO/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,10H2
InChIKey VGTBEYRZXSEIMZ-UHFFFAOYSA-N
Molecular Weight 175.231 g/mol
SMILES c1(OCCCCC#N)ccccc1
SPLASH splash10-0006-9200000000-5ee09068547a1f0e9d98
Wiley ID 1465227