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(-)-9-[(Benzyloxy)methyl]-4,5-O-isopropylidene-2-cyclopenten-1-yl]-6-chloropurine

View entire compound with spectra: 1 MS (GC)

(-)-9-[(Benzyloxy)methyl]-4,5-O-isopropylidene-2-cyclopenten-1-yl]-6-chloropurine
SpectraBase Compound ID JLELxAWd0Ye
InChI InChI=1S/C21H21ClN4O3/c1-21(2)28-17-14(10-27-9-13-6-4-3-5-7-13)8-15(18(17)29-21)26-12-25-16-19(22)23-11-24-20(16)26/h3-8,11-12,15,17-18H,9-10H2,1-2H3/t15-,17-,18+/m1/s1
InChIKey JUSWOYDXGXRIMD-NXHRZFHOSA-N
Mol Weight 412.88 g/mol
Molecular Formula C21H21ClN4O3
Exact Mass 412.130218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPYjG4qfemJ
Name (-)-9-[(Benzyloxy)methyl]-4,5-O-isopropylidene-2-cyclopenten-1-yl]-6-chloropurine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClN4O3
InChI InChI=1S/C21H21ClN4O3/c1-21(2)28-17-14(10-27-9-13-6-4-3-5-7-13)8-15(18(17)29-21)26-12-25-16-19(22)23-11-24-20(16)26/h3-8,11-12,15,17-18H,9-10H2,1-2H3/t15-,17-,18+/m1/s1
InChIKey JUSWOYDXGXRIMD-NXHRZFHOSA-N
Molecular Weight 412.877 g/mol
SMILES [C@@]1([n]2c3c(c(Cl)ncn3)nc2)([C@]2([C@](OC(O2)(C)C)(C(=C1)COCc1ccccc1)[H])[H])[H]
SPLASH splash10-0006-9361000000-009f9f7eab3edfef1a4d
Source of Spectrum F-56-4646-35
Synonyms 9-[(3aR,6R,6aS)-2,2-dimethyl-4-(phenylmethoxymethyl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-6-chloropurine 9-[(3aR,6R,6aS)-4-(benzyloxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-6-chloro-purine 9-[(3aR,6R,6aS)-2,2-dimethyl-4-(phenylmethoxymethyl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-6-chloranyl-purine
Wiley ID 856732