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3,6-METHANO-(2A-R*)-(3R*)-(6S*)-(6A-R*)-(12B-R*)-12B-(4-METHYLPHENYL)-TETRAHYDRO-ISOINDOLO-[2,1-A]-PERHYDRO-[3,1]-BENZOXAZIN-8-ONE
SpectraBase Compound ID 7a7o5Od1uVK
InChI InChI=1S/C23H21NO2/c1-14-6-10-17(11-7-14)23-20-5-3-2-4-18(20)22(25)24(23)21-16-9-8-15(12-16)19(21)13-26-23/h2-11,15-16,19,21H,12-13H2,1H3/t15?,16?,19-,21+,23-/m1/s1
InChIKey BYQWTSJLNGZDHX-HTAGENIISA-N
Mol Weight 343.43 g/mol
Molecular Formula C23H21NO2
Exact Mass 343.157229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRVzqemhGqH
Name 3,6-METHANO-(2A-R*)-(3R*)-(6S*)-(6A-R*)-(12B-R*)-12B-(4-METHYLPHENYL)-TETRAHYDRO-ISOINDOLO-[2,1-A]-PERHYDRO-[3,1]-BENZOXAZIN-8-ONE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21NO2
InChI InChI=1S/C23H21NO2/c1-14-6-10-17(11-7-14)23-20-5-3-2-4-18(20)22(25)24(23)21-16-9-8-15(12-16)19(21)13-26-23/h2-11,15-16,19,21H,12-13H2,1H3/t15?,16?,19-,21+,23-/m1/s1
InChIKey BYQWTSJLNGZDHX-HTAGENIISA-N
Literature Reference Author P.SOHAR,G.STAJER,K.NAGY,G.BERNATH
Literature Reference Citation MAGN.RES.CHEM.,33,329(1995)
Literature Reference DOI 10.1002/mrc.1260330503
Molecular Weight 343.425 g/mol
Solvent CDCl3
Source File Reference UWRU1612