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4-(Pent-2-ynyloxy)benzonitrile
SpectraBase Compound ID 3SdArS2GYl6
InChI InChI=1S/C12H11NO/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h5-8H,2,9H2,1H3
InChIKey VHNXUXARQGUARL-UHFFFAOYSA-N
Mol Weight 185.23 g/mol
Molecular Formula C12H11NO
Exact Mass 185.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTlho36pTR3
Name 4-(Pent-2-ynyloxy)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO
InChI InChI=1S/C12H11NO/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h5-8H,2,9H2,1H3
InChIKey VHNXUXARQGUARL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cctc.201100075
Molecular Weight 185.226 g/mol
SMILES C(c1ccc(cc1)OCC#CCC)#N
SPLASH splash10-052o-4900000000-96e9a721b9828bee387c
Source of Spectrum CCC-3-1439/SM5-5_2
Synonyms 4-(pent-2-yn-1-yloxy)benzonitrile
Wiley ID 1788840