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9-(2-oxanyl)-6-[(E)-2-(3-thiophenyl)ethenyl]purine
SpectraBase Compound ID 5MwDHgUB9Mk
InChI InChI=1S/C16H16N4OS/c1-2-7-21-14(3-1)20-11-19-15-13(17-10-18-16(15)20)5-4-12-6-8-22-9-12/h4-6,8-11,14H,1-3,7H2/b5-4+
InChIKey QPFFKESEQMCKIR-SNAWJCMRSA-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 C2iYpqUDwsL
Name 9-(2-oxanyl)-6-[(E)-2-(3-thiophenyl)ethenyl]purine
Alternate Name(s) 9-(oxan-2-yl)-6-[(E)-2-thiophen-3-ylethenyl]purine 9-tetrahydropyran-2-yl-6-[(E)-2-(3-thienyl)vinyl]purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N4OS
InChI InChI=1S/C16H16N4OS/c1-2-7-21-14(3-1)20-11-19-15-13(17-10-18-16(15)20)5-4-12-6-8-22-9-12/h4-6,8-11,14H,1-3,7H2/b5-4+
InChIKey QPFFKESEQMCKIR-SNAWJCMRSA-N
Molecular Weight 312.391 g/mol
SMILES c12[n](cnc2c(\C=C\c2cscc2)ncn1)C1OCCCC1
SPLASH splash10-004i-0090000000-26d05582b134ce5f3003
Source of Spectrum F-55-220-3
Wiley ID 836491