For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(3'RS,5'SR,8'RS)-9-(8'-ALLYLOXY-2'-PHENYL-7'-OXABICYCLO-[3.3.0]-OCT-1'-ENE-3'-YL)-9H-6-CHLOROPURINE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3'RS,5'SR,8'RS)-9-(8'-ALLYLOXY-2'-PHENYL-7'-OXABICYCLO-[3.3.0]-OCT-1'-ENE-3'-YL)-9H-6-CHLOROPURINE
SpectraBase Compound ID B85BoSplY1a
InChI InChI=1S/C21H19ClN4O2/c1-2-8-27-21-17-14(10-28-21)9-15(16(17)13-6-4-3-5-7-13)26-12-25-18-19(22)23-11-24-20(18)26/h2-7,11-12,14-15,21H,1,8-10H2/t14-,15-,21-/m1/s1
InChIKey QZXNKQGPMTXTDE-VTJXTGGHSA-N
Mol Weight 394.86 g/mol
Molecular Formula C21H19ClN4O2
Exact Mass 394.119654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7Jd0Fu8bLOP
Name 9-[8'-(Allyloxy)-2'-phenyl-7'-oxabicyclo[3.3.0]oct-1'-en-3'-yl)-9H-6-chloropurine
Alternate Name(s) 9-[(3R,5R,6aS)-4-phenyl-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl]-6-chloropurine 9-[(3R,5R,6aS)-4-phenyl-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-yl]-6-chloranyl-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19ClN4O2
InChI InChI=1S/C21H19ClN4O2/c1-2-8-27-21-17-14(10-28-21)9-15(16(17)13-6-4-3-5-7-13)26-12-25-18-19(22)23-11-24-20(18)26/h2-7,11-12,14-15,21H,1,8-10H2/t14-,15-,21-/m1/s1
InChIKey QZXNKQGPMTXTDE-VTJXTGGHSA-N
Molecular Weight 394.862 g/mol
SMILES c12[n](cnc2c(Cl)ncn1)[C@]1(C(=C2[C@](OCC=C)(OC[C@]2(C1)[H])[H])c1ccccc1)[H]
SPLASH splash10-054o-0910000000-99e47704437073c38085
Source of Spectrum H-2005-1457-30
Wiley ID 1562589