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6-[(E)-4-methyl-5-(2-oxanyloxy)pent-3-en-1-ynyl]-9-(2-oxanyl)purine
SpectraBase Compound ID 1ecDT3Lk1Ar
InChI InChI=1S/C21H26N4O3/c1-16(13-28-19-10-3-5-12-27-19)7-6-8-17-20-21(23-14-22-17)25(15-24-20)18-9-2-4-11-26-18/h7,14-15,18-19H,2-5,9-13H2,1H3/b16-7+
InChIKey YTIGMQZLGXLFMS-FRKPEAEDSA-N
Mol Weight 382.46 g/mol
Molecular Formula C21H26N4O3
Exact Mass 382.200491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BKIzDEAuZy
Name 6-[(E)-4-methyl-5-(2-oxanyloxy)pent-3-en-1-ynyl]-9-(2-oxanyl)purine
Alternate Name(s) 6-[(E)-4-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-9-(oxan-2-yl)purine 6-[(E)-4-methyl-5-tetrahydropyran-2-yloxy-pent-3-en-1-ynyl]-9-tetrahydropyran-2-yl-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N4O3
InChI InChI=1S/C21H26N4O3/c1-16(13-28-19-10-3-5-12-27-19)7-6-8-17-20-21(23-14-22-17)25(15-24-20)18-9-2-4-11-26-18/h7,14-15,18-19H,2-5,9-13H2,1H3/b16-7+
InChIKey YTIGMQZLGXLFMS-FRKPEAEDSA-N
Molecular Weight 382.464 g/mol
SMILES c12[n](cnc2c(C#C\C=C\(COC2OCCCC2)C)ncn1)C1OCCCC1
SPLASH splash10-01pa-3790000000-e1ff527035eccb02c7e0
Source of Spectrum F-55-224-14
Wiley ID 836483