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METHYL-(1RS,3ASR,4RS,7RS,7ASR)-4-(FORMYLMETHYL)-1,2,3,4,7,7A-HEXAHYDRO-6,7-DIMETHYL-3-OXO-1-(PHENYLMETHYL)-3AH-ISOINDOLE-3A-CARBOXYLATE

View entire compound with spectra: 1 NMR

METHYL-(1RS,3ASR,4RS,7RS,7ASR)-4-(FORMYLMETHYL)-1,2,3,4,7,7A-HEXAHYDRO-6,7-DIMETHYL-3-OXO-1-(PHENYLMETHYL)-3AH-ISOINDOLE-3A-CARBOXYLATE
SpectraBase Compound ID 6LXGyxo3OOp
InChI InChI=1S/C21H25NO4/c1-13-11-16(9-10-23)21(20(25)26-3)18(14(13)2)17(22-19(21)24)12-15-7-5-4-6-8-15/h4-8,10-11,14,16-18H,9,12H2,1-3H3,(H,22,24)/t14-,16+,17+,18+,21-/m1/s1
InChIKey PFRHQHSCQTYXRV-DVZFXEOLSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIqqU9mecJi
Name METHYL-(1RS,3ASR,4RS,7RS,7ASR)-4-(FORMYLMETHYL)-1,2,3,4,7,7A-HEXAHYDRO-6,7-DIMETHYL-3-OXO-1-(PHENYLMETHYL)-3AH-ISOINDOLE-3A-CARBOXYLATE
Compound Number 46
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-13-11-16(9-10-23)21(20(25)26-3)18(14(13)2)17(22-19(21)24)12-15-7-5-4-6-8-15/h4-8,10-11,14,16-18H,9,12H2,1-3H3,(H,22,24)/t14-,16+,17+,18+,21-/m1/s1
InChIKey PFRHQHSCQTYXRV-DVZFXEOLSA-N
Literature Reference Author M.BOUTELLIER,D.WALLACH,C.TAMM
Literature Reference Citation HELV.CHIM.ACTA,76,2515(1993)
Literature Reference DOI 10.1002/hlca.19930760710
Molecular Weight 355.434 g/mol
Solvent CDCl3
Source File Reference UWVP6618