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No Name

View entire compound with spectra: 1 MS (GC)

No Name
SpectraBase Compound ID ECLZn9pax3n
InChI InChI=1S/C14H16IN3O/c1-13(2)5-9(18-12(13)19)4-11-14(3,8-16)6-10(7-15)17-11/h4,7H,5-6H2,1-3H3,(H,18,19)/b9-4+,10-7+
InChIKey NBZDLEBWYJDDJJ-SXFWLWNESA-N
Mol Weight 369.21 g/mol
Molecular Formula C14H16IN3O
Exact Mass 369.033807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Go9eA5YOvug
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H16N3OI
InChI InChI=1S/C14H16IN3O/c1-13(2)5-9(18-12(13)19)4-11-14(3,8-16)6-10(7-15)17-11/h4,7H,5-6H2,1-3H3,(H,18,19)/b9-4+,10-7+
InChIKey NBZDLEBWYJDDJJ-SXFWLWNESA-N
Molecular Weight 369.0294
SMILES N1\C(CC(C1=O)(C)C)=C\C1=N\C(=C\I)CC1(C)C#N
SPLASH splash10-0gdi-7789000000-5c2b60bc5663acf9f01a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany