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2-But-3-ynylisoindole-1,3-dione
SpectraBase Compound ID 3ZQkrmKU3Ea
InChI InChI=1S/C12H9NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h1,4-7H,3,8H2
InChIKey YIMNQWSIQLKYOZ-UHFFFAOYSA-N
Mol Weight 199.21 g/mol
Molecular Formula C12H9NO2
Exact Mass 199.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChONxr9bKoQ
Name 2-But-3-ynylisoindole-1,3-dione
Alternate Name(s) 2-But-3-ynylisoindoline-1,3-dione 2-But-3-ynylisoindoline-1,3-quinone N-(3-butynyl)phthalimide
CAS Registry Number 14396-90-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO2
InChI InChI=1S/C12H9NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h1,4-7H,3,8H2
InChIKey YIMNQWSIQLKYOZ-UHFFFAOYSA-N
Molecular Weight 199.209 g/mol
SMILES C1(N(C(c2ccccc12)=O)CCC#C)=O
SPLASH splash10-03di-1900000000-9f8e69bbf368098190a9
Source of Spectrum K1-2004-3452-1
Wiley ID 1561331