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Isoxazole, 5-(1,3-pentadienyl)-, (E,E)-
SpectraBase Compound ID 1UTCXjCim44
InChI InChI=1S/C8H9NO/c1-2-3-4-5-8-6-7-9-10-8/h2-7H,1H3/b3-2+,5-4+
InChIKey JPLSRIMQTZRYKQ-MQQKCMAXSA-N
Mol Weight 135.17 g/mol
Molecular Formula C8H9NO
Exact Mass 135.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGU36Zz4s60
Name Isoxazole, 5-(1,3-pentadienyl)-, (E,E)-
Alternate Name(s) (E,E)-5-(1,3-pentadienyl)isoxazole 5-[(1E,3E)-1,3-pentadienyl]isoxazole
CAS Registry Number 113351-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO
InChI InChI=1S/C8H9NO/c1-2-3-4-5-8-6-7-9-10-8/h2-7H,1H3/b3-2+,5-4+
InChIKey JPLSRIMQTZRYKQ-MQQKCMAXSA-N
Molecular Weight 135.166 g/mol
SMILES c1(oncc1)\C=C\C=C\C
SPLASH splash10-002r-9700000000-c7eef0a47cd68d8e6445
Source of Spectrum J-53-1362-16
Wiley ID 1135472