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

*Links on SpectraBase are not permalinks.
1-[5,6-Dideoxy-2,3-O-isopropylidene-5-methylthio-6-(p-toluenesulfonyl)-.beta.-D-ribo-hexofuranosyl]uracil
SpectraBase Compound ID 9ZSLeosUZ0V
InChI InChI=1S/C21H26N2O7S2/c1-12-5-7-13(8-6-12)32(26,27)11-14(31-4)16-17-18(30-21(2,3)29-17)19(28-16)23-10-9-15(24)22-20(23)25/h5-10,14,16-19H,11H2,1-4H3,(H,22,24,25)/t14?,16-,17-,18-,19-/m1/s1
InChIKey NQHCGZKDBDVXKQ-YGESUVMOSA-N
Mol Weight 482.57 g/mol
Molecular Formula C21H26N2O7S2
Exact Mass 482.118144 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 CDhf2Z8umAe
Name 1-[5,6-Dideoxy-2,3-O-isopropylidene-5-methylthio-6-(p-toluenesulfonyl)-.beta.-D-ribo-hexofuranosyl]uracil
Alternate Name(s) 1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-{2-[(4-methylbenzene)sulfonyl]-1-(methylsulfanyl)ethyl}-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O7S2
InChI InChI=1S/C21H26N2O7S2/c1-12-5-7-13(8-6-12)32(26,27)11-14(31-4)16-17-18(30-21(2,3)29-17)19(28-16)23-10-9-15(24)22-20(23)25/h5-10,14,16-19H,11H2,1-4H3,(H,22,24,25)/t14?,16-,17-,18-,19-/m1/s1
InChIKey NQHCGZKDBDVXKQ-YGESUVMOSA-N
Molecular Weight 482.566 g/mol
SMILES N1C(C=CN(C1=O)[C@]1([C@]2([C@](OC(O2)(C)C)([C@](O1)(C(CS(c1ccc(cc1)C)(=O)=O)SC)[H])[H])[H])[H])=O
SPLASH splash10-056r-0879100000-078835b9325fe062cb16
Source of Spectrum I-69-2110-7
Wiley ID 1395529