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2-Acetyl-5-phenyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2-carboxylic acid ethyl ester
SpectraBase Compound ID 8Zqagea32mB
InChI InChI=1S/C30H30N4O4/c1-3-37-29(36)30(19(2)35)15-21-13-23(20-9-5-4-6-10-20)24(14-22(21)16-30)26-27-28(32-17-31-26)34(18-33-27)25-11-7-8-12-38-25/h4-6,9-10,13-14,17-18,25H,3,7-8,11-12,15-16H2,1-2H3
InChIKey NQYVKCAKFZNFTH-UHFFFAOYSA-N
Mol Weight 510.59 g/mol
Molecular Formula C30H30N4O4
Exact Mass 510.226705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vJNCbbnIHB
Name 2-Acetyl-5-phenyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30N4O4
InChI InChI=1S/C30H30N4O4/c1-3-37-29(36)30(19(2)35)15-21-13-23(20-9-5-4-6-10-20)24(14-22(21)16-30)26-27-28(32-17-31-26)34(18-33-27)25-11-7-8-12-38-25/h4-6,9-10,13-14,17-18,25H,3,7-8,11-12,15-16H2,1-2H3
InChIKey NQYVKCAKFZNFTH-UHFFFAOYSA-N
Molecular Weight 510.594 g/mol
SMILES c12[n](cnc2c(-c2c(cc3CC(Cc3c2)(C(=O)OCC)C(=O)C)-c2ccccc2)ncn1)C1OCCCC1
SPLASH splash10-0a6r-9004410000-2bc804449e24cbe6ce75
Source of Spectrum F-69-9232-3
Synonyms 2-Acetyl-5-[9-(2-oxanyl)-6-purinyl]-6-phenyl-1,3-dihydroindene-2-carboxylic acid ethyl ester Ethyl 2-acetyl-5-phenyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2-carboxylate Ethyl 2-acetyl-5-[9-(oxan-2-yl)purin-6-yl]-6-phenyl-1,3-dihydroindene-2-carboxylate Ethyl 2-ethanoyl-5-[9-(oxan-2-yl)purin-6-yl]-6-phenyl-1,3-dihydroindene-2-carboxylate
Wiley ID 1596024