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4-[N-Bis(butoxycarbonyl)amino]-7-[3-(3-methyl-2,3-dihydrobenzofuranyl)-2-methylenepropyl]purine
SpectraBase Compound ID 4gSqUksmNFI
InChI InChI=1S/C28H35N5O5/c1-18(13-28(8)15-36-20-12-10-9-11-19(20)28)14-32-17-31-21-22(32)29-16-30-23(21)33(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9-12,16-17H,1,13-15H2,2-8H3
InChIKey KCOJOFZOWUFCST-UHFFFAOYSA-N
Mol Weight 521.6 g/mol
Molecular Formula C28H35N5O5
Exact Mass 521.263819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMBctQ3hNnX
Name 4-[N-Bis(butoxycarbonyl)amino]-7-[3-(3-methyl-2,3-dihydrobenzofuranyl)-2-methylenepropyl]purine
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Formula C28H35N5O5
InChI InChI=1S/C28H35N5O5/c1-18(13-28(8)15-36-20-12-10-9-11-19(20)28)14-32-17-31-21-22(32)29-16-30-23(21)33(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9-12,16-17H,1,13-15H2,2-8H3
InChIKey KCOJOFZOWUFCST-UHFFFAOYSA-N
Molecular Weight 521.618 g/mol
SMILES c1(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)c2c([n](CC(CC3(c4c(cccc4)OC3)C)=C)cn2)ncn1
SPLASH splash10-053i-2933000000-68327925415c1059435a
Source of Spectrum F-56-7559-6
Wiley ID 858670