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2-(1-amylprop-2-ynyl)isoindoline-1,3-quinone
SpectraBase Compound ID 9fJu2q2T26x
InChI InChI=1S/C16H17NO2/c1-3-5-6-9-12(4-2)17-15(18)13-10-7-8-11-14(13)16(17)19/h2,7-8,10-12H,3,5-6,9H2,1H3
InChIKey CLZBASMOCLMBSD-UHFFFAOYSA-N
Mol Weight 255.32 g/mol
Molecular Formula C16H17NO2
Exact Mass 255.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAtDisDPdL5
Name 2-(1-amylprop-2-ynyl)isoindoline-1,3-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO2
InChI InChI=1S/C16H17NO2/c1-3-5-6-9-12(4-2)17-15(18)13-10-7-8-11-14(13)16(17)19/h2,7-8,10-12H,3,5-6,9H2,1H3
InChIKey CLZBASMOCLMBSD-UHFFFAOYSA-N
Molecular Weight 255.317 g/mol
SMILES C1(N(C(c2ccccc12)=O)C(C#C)CCCCC)=O
SPLASH splash10-001i-0920000000-3a5b3ccd913aa73b1843
Source of Spectrum K1-2004-3451-1
Synonyms 2-(1-Ethynylhexyl)isoindoline-1,3-dione 2-Oct-1-yn-3-ylisoindole-1,3-dione
Wiley ID 1561334