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8-([(1E)-3,3,3-Trifluoro-1-propenyl]sulfanyl)-9H-purin-6-ol
SpectraBase Compound ID Kg6h46STgbb
InChI InChI=1S/C8H5F3N4OS/c9-8(10,11)1-2-17-7-14-4-5(15-7)12-3-13-6(4)16/h1-3H,(H2,12,13,14,15,16)/b2-1+
InChIKey SIFTXECCILBECB-OWOJBTEDSA-N
Mol Weight 262.21 g/mol
Molecular Formula C8H5F3N4OS
Exact Mass 262.013616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zC7E3KFC1y
Name 8-([(1E)-3,3,3-Trifluoro-1-propenyl]sulfanyl)-9H-purin-6-ol
Alternate Name(s) 8-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanyl-3,7-dihydropurin-6-one 8-[(E)-3,3,3-tris(fluoranyl)prop-1-enyl]sulfanyl-3,7-dihydropurin-6-one 8-[[(E)-3,3,3-trifluoroprop-1-enyl]thio]-3,7-dihydropurin-6-one 9H-Purin-6-ol, 8-(3,3,3-trifluoro-1-propenyl)thio-
CAS Registry Number 344557-56-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5F3N4OS
InChI InChI=1S/C8H5F3N4OS/c9-8(10,11)1-2-17-7-14-4-5(15-7)12-3-13-6(4)16/h1-3H,(H2,12,13,14,15,16)/b2-1+
InChIKey SIFTXECCILBECB-OWOJBTEDSA-N
Molecular Weight 262.210 g/mol
SMILES [nH]1c2c(c(ncn2)O)nc1S\C=C\C(F)(F)F
SPLASH splash10-0006-1910000000-27af2a084d3c83d99142
Source of Spectrum AD-0-2532-0
Wiley ID 1424314