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

*Links on SpectraBase are not permalinks.
5-ETHOXYCARBONYLMETHYL-1,2,7,11B-TETRAHYDRO-1-PHENYLSULFONYL-ISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-6(5H)-ONE
SpectraBase Compound ID 2Zclfi3oFwF
InChI InChI=1S/C21H22N2O6S/c1-2-28-19(24)12-17-21(25)22-16-11-7-6-10-15(16)20-18(13-29-23(17)20)30(26,27)14-8-4-3-5-9-14/h3-11,17-18,20H,2,12-13H2,1H3,(H,22,25)/t17-,18-,20-/m0/s1
InChIKey OJBQPUJSLJRTPD-BJLQDIEVSA-N
Mol Weight 430.48 g/mol
Molecular Formula C21H22N2O6S
Exact Mass 430.119858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID JQ6WTmOlKiO
Name 5-ETHOXYCARBONYLMETHYL-1,2,7,11B-TETRAHYDRO-1-PHENYLSULFONYL-ISOXAZOLO-[2,3-D]-[1,4]-BENZODIAZEPIN-6(5H)-ONE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O6S
InChI InChI=1S/C21H22N2O6S/c1-2-28-19(24)12-17-21(25)22-16-11-7-6-10-15(16)20-18(13-29-23(17)20)30(26,27)14-8-4-3-5-9-14/h3-11,17-18,20H,2,12-13H2,1H3,(H,22,25)/t17-,18-,20-/m0/s1
InChIKey OJBQPUJSLJRTPD-BJLQDIEVSA-N
Literature Reference Author F.HEANEY,S.BOURKE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,955(1998)
Literature Reference DOI 10.1039/a707078k
Molecular Weight 430.475 g/mol
Solvent CDCl3
Source File Reference UWGE2514