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[3R-[3-ALPHA,6-ALPHA-(R*S*),7A-ALPHA)]-6-METHYL-6-(3-OXO-CYCLOHEXYL)-3-PHENYL-3H,5H-TETRAHYDROPYRROLO-[1,2-C]-OXAZOL-5-ONE

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[3R-[3-ALPHA,6-ALPHA-(R*S*),7A-ALPHA)]-6-METHYL-6-(3-OXO-CYCLOHEXYL)-3-PHENYL-3H,5H-TETRAHYDROPYRROLO-[1,2-C]-OXAZOL-5-ONE
SpectraBase Compound ID HD4wMJTsWWH
InChI InChI=1S/2C19H23NO3/c2*1-19(14-8-5-9-16(21)10-14)11-15-12-23-17(20(15)18(19)22)13-6-3-2-4-7-13/h2*2-4,6-7,14-15,17H,5,8-12H2,1H3/t2*14?,15-,17+,19-/m00/s1
InChIKey MKOULGHEONHISW-KBZSBPRQSA-N
Mol Weight 626.79 g/mol
Molecular Formula C38H46N2O6
Exact Mass 626.335587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ttFqAVeMRX
Name [3R-[3-ALPHA,6-ALPHA-(R*S*),7A-ALPHA)]-6-METHYL-6-(3-OXO-CYCLOHEXYL)-3-PHENYL-3H,5H-TETRAHYDROPYRROLO-[1,2-C]-OXAZOL-5-ONE
Compound Number 7D/7E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H46N2O6
InChI InChI=1S/2C19H23NO3/c2*1-19(14-8-5-9-16(21)10-14)11-15-12-23-17(20(15)18(19)22)13-6-3-2-4-7-13/h2*2-4,6-7,14-15,17H,5,8-12H2,1H3/t2*14?,15-,17+,19-/m00/s1
InChIKey MKOULGHEONHISW-KBZSBPRQSA-N
Literature Reference Author W.FLEISCHHACKER,T.RIEDL,H.VOELLENKLE,C.R.NOE
Literature Reference Citation ARCH.PHARM.,329,41(1996)
Literature Reference DOI 10.1002/ardp.19963290108
Molecular Weight 626.793 g/mol
Solvent CDCl3
Source File Reference UWRU4775