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3-n-Butoxypropionitrile

View entire compound with spectra: 2 FTIR, 1 Raman, and 5 MS (GC)

3-n-Butoxypropionitrile
SpectraBase Compound ID 31SD9lvkvLD
InChI InChI=1S/C7H13NO/c1-2-3-6-9-7-4-5-8/h2-4,6-7H2,1H3
InChIKey AWVNJBFNHGQUQU-UHFFFAOYSA-N
Mol Weight 127.19 g/mol
Molecular Formula C7H13NO
Exact Mass 127.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iCuzIKJv6
Name Propanenitrile, 3-butoxy-
Alternate Name(s) 3-Butoxypropanenitrile .beta.-Butoxy propionitrile 3-(n-Butoxy)propionitrile 3-Butoxypropannitril 3-Butoxypropionitrile 3-Butoxypropiononitrile Propionitrile, 3-butoxy- AI3-08628 BRN 1747904 EINECS 230-153-0 NSC 65452
CAS Registry Number 6959-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13NO
InChI InChI=1S/C7H13NO/c1-2-3-6-9-7-4-5-8/h2-4,6-7H2,1H3
InChIKey AWVNJBFNHGQUQU-UHFFFAOYSA-N
Molecular Weight 127.187 g/mol
SMILES CCCCOCCC#N
SPLASH splash10-0pb9-9000000000-b3bac7a31b5ad124983b
Source of Spectrum NP-0-6725-0
Wiley ID 1096565