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2-(allylthio)-9H-pyrimid[4,5-b]indole
SpectraBase Compound ID BY8pI3FlDUE
InChI InChI=1S/C13H11N3S/c1-2-7-17-13-14-8-10-9-5-3-4-6-11(9)15-12(10)16-13/h2-6,8H,1,7H2,(H,14,15,16)
InChIKey NSUJNQRMHHXGKR-UHFFFAOYSA-N
Mol Weight 241.31 g/mol
Molecular Formula C13H11N3S
Exact Mass 241.067369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8dwh15RBgS
Name 2-(allylthio)-9H-pyrimid[4,5-b]indole
Alternate Name(s) 2-(prop-2-enylthio)-9H-pyrimido[4,5-b]indole 2-Allylsulfanyl-9H-pyrimido[4,5-b]indole 2-Prop-2-enylsulfanyl-9H-pyrimido[4,5-b]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3S
InChI InChI=1S/C13H11N3S/c1-2-7-17-13-14-8-10-9-5-3-4-6-11(9)15-12(10)16-13/h2-6,8H,1,7H2,(H,14,15,16)
InChIKey NSUJNQRMHHXGKR-UHFFFAOYSA-N
Molecular Weight 241.312 g/mol
SMILES N1C(=NC=C2C1=Nc1ccccc21)SCC=C
SPLASH splash10-0fk9-0890000000-9c5efc918271b2720b3e
Source of Spectrum O1-35-1066-7
Wiley ID 819541