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

*Links on SpectraBase are not permalinks.

(2R,3S,4R,4ar,7R,8as)-Hexahydro-7-methyl-2-[(1E)-prop-1-enyl]pyrazano[4,3-B]pyran-5(7H)-one-3,4-diyl bis(4-bromobenzoate)

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

(2R,3S,4R,4ar,7R,8as)-Hexahydro-7-methyl-2-[(1E)-prop-1-enyl]pyrazano[4,3-B]pyran-5(7H)-one-3,4-diyl bis(4-bromobenzoate)
SpectraBase Compound ID IDQn34awRkb
InChI InChI=1S/C26H24Br2O7/c1-3-4-19-22(34-24(29)15-5-9-17(27)10-6-15)23(21-20(33-19)13-14(2)32-26(21)31)35-25(30)16-7-11-18(28)12-8-16/h3-12,14,19-23H,13H2,1-2H3/b4-3+/t14-,19?,20-,21+,22?,23?/m0/s1
InChIKey VRBUITBBNCIWQH-WRLCOUFGSA-N
Mol Weight 608.28 g/mol
Molecular Formula C26H24Br2O7
Exact Mass 605.988879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID C6uns77sw4X
Name (2R,3S,4R,4ar,7R,8as)-Hexahydro-7-methyl-2-[(1E)-prop-1-enyl]pyrazano[4,3-B]pyran-5(7H)-one-3,4-diyl bis(4-bromobenzoate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 605.988879106 u
Formula C26H24Br2O7
InChI InChI=1S/C26H24Br2O7/c1-3-4-19-22(34-24(29)15-5-9-17(27)10-6-15)23(21-20(33-19)13-14(2)32-26(21)31)35-25(30)16-7-11-18(28)12-8-16/h3-12,14,19-23H,13H2,1-2H3/b4-3+/t14-,19?,20-,21+,22?,23?/m0/s1
InChIKey VRBUITBBNCIWQH-WRLCOUFGSA-N
Molecular Weight 608.279 g/mol
SMILES [C@@]12(C(O[C@](C[C@@]2(OC(\C=C\C)C(C1OC(C=1C=CC(=CC1)Br)=O)OC(C1=CC=C(C=C1)Br)=O)[H])(C)[H])=O)[H]