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9-(2-oxanyl)-6-[(E)-2-thiophen-2-ylethenyl]purine
SpectraBase Compound ID Gh8CGP2tdUp
InChI InChI=1S/C16H16N4OS/c1-2-8-21-14(5-1)20-11-19-15-13(17-10-18-16(15)20)7-6-12-4-3-9-22-12/h3-4,6-7,9-11,14H,1-2,5,8H2/b7-6+
InChIKey CVQHZJTXLSJNDB-VOTSOKGWSA-N
Mol Weight 312.39 g/mol
Molecular Formula C16H16N4OS
Exact Mass 312.104482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QMC1lxIq1J
Name 9-(2-oxanyl)-6-[(E)-2-thiophen-2-ylethenyl]purine
Alternate Name(s) 9-(oxan-2-yl)-6-[(E)-2-thiophen-2-ylethenyl]purine 9-tetrahydropyran-2-yl-6-[(E)-2-(2-thienyl)vinyl]purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N4OS
InChI InChI=1S/C16H16N4OS/c1-2-8-21-14(5-1)20-11-19-15-13(17-10-18-16(15)20)7-6-12-4-3-9-22-12/h3-4,6-7,9-11,14H,1-2,5,8H2/b7-6+
InChIKey CVQHZJTXLSJNDB-VOTSOKGWSA-N
Molecular Weight 312.391 g/mol
SMILES c12[n](cnc2c(\C=C\c2sccc2)ncn1)C1OCCCC1
SPLASH splash10-004i-0090000000-f08550a021a03fb0ccf0
Source of Spectrum F-55-220-3
Wiley ID 836492