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3-(4-Methoxyphenyl)butanenitrile
SpectraBase Compound ID E2hnOVxnKsQ
InChI InChI=1S/C11H13NO/c1-9(7-8-12)10-3-5-11(13-2)6-4-10/h3-6,9H,7H2,1-2H3
InChIKey JFSICMAPIYTKDM-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 KHlrNLnQoOZ
Name 3-(4-Methoxyphenyl)butanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO
InChI InChI=1S/C11H13NO/c1-9(7-8-12)10-3-5-11(13-2)6-4-10/h3-6,9H,7H2,1-2H3
InChIKey JFSICMAPIYTKDM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201402053
Molecular Weight 175.231 g/mol
SMILES c1c(ccc(C(CC#N)C)c1)OC
SPLASH splash10-000i-0900000000-40384ff2441ee2d128fe
Source of Spectrum ACI-53-SM39-5f
Wiley ID 1782482