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6-Amino-8-phenyl-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
SpectraBase Compound ID E0u2pTBMiTK
InChI InChI=1S/C18H14N4S/c19-8-14-13-6-7-23-9-15(13)16(12-4-2-1-3-5-12)18(10-20,11-21)17(14)22/h1-6,15-16H,7,9,22H2
InChIKey RXTFAAXINIBMQQ-UHFFFAOYSA-N
Mol Weight 318.4 g/mol
Molecular Formula C18H14N4S
Exact Mass 318.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cnc1Zf9dFxK
Name 6-Amino-8-phenyl-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N4S
InChI InChI=1S/C18H14N4S/c19-8-14-13-6-7-23-9-15(13)16(12-4-2-1-3-5-12)18(10-20,11-21)17(14)22/h1-6,15-16H,7,9,22H2
InChIKey RXTFAAXINIBMQQ-UHFFFAOYSA-N
Molecular Weight 318.398 g/mol
SMILES NC1=C(C2=CCSCC2C(C1(C#N)C#N)c1ccccc1)C#N
SPLASH splash10-0bt9-0938000000-ad04162f4fec55ad8f5d
Source of Spectrum F-72-1703-6a
Wiley ID 1805885