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

*Links on SpectraBase are not permalinks.

5-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]-6-bromanyl-1,3-benzodioxole

View entire compound with spectra: 1 MS (GC)

5-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]-6-bromanyl-1,3-benzodioxole
SpectraBase Compound ID 4i4UoEiHm3a
InChI InChI=1S/C20H25BrO8/c1-19(2)25-8-14(27-19)15-16(17-18(26-15)29-20(3,4)28-17)22-7-10-5-12-13(6-11(10)21)24-9-23-12/h5-6,14-18H,7-9H2,1-4H3/t14-,15-,16+,17-,18-/m1/s1
InChIKey FZJRZKHFNSRDCU-UYTYNIKBSA-N
Mol Weight 473.32 g/mol
Molecular Formula C20H25BrO8
Exact Mass 472.073281 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 AqgGgGDb2zs
Name 5-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]-6-bromanyl-1,3-benzodioxole
Alternate Name(s) 5-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]-6-bromo-1,3-benzodioxole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25BrO8
InChI InChI=1S/C20H25BrO8/c1-19(2)25-8-14(27-19)15-16(17-18(26-15)29-20(3,4)28-17)22-7-10-5-12-13(6-11(10)21)24-9-23-12/h5-6,14-18H,7-9H2,1-4H3/t14-,15-,16+,17-,18-/m1/s1
InChIKey FZJRZKHFNSRDCU-UYTYNIKBSA-N
Molecular Weight 473.316 g/mol
SMILES [C@]12([C@](O[C@@]([C@@]2(OCc2c(cc3c(c2)OCO3)Br)[H])([C@@]2(OC(C)(C)OC2)[H])[H])(OC(O1)(C)C)[H])[H]
SPLASH splash10-00di-0000900000-64a453922fadbaa80bfc
Source of Spectrum K-2001-3348-4
Wiley ID 1580219