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(3R,5R,6R,7aR)-3-(benzo[d][1,3]dioxol-5-yl)-6-methoxy-1-(4-methoxybenzyl)-5-(methoxymethoxy)-5,6,7,7a-tetrahydro-1H-indol-2(3H)-one

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

(3R,5R,6R,7aR)-3-(benzo[d][1,3]dioxol-5-yl)-6-methoxy-1-(4-methoxybenzyl)-5-(methoxymethoxy)-5,6,7,7a-tetrahydro-1H-indol-2(3H)-one
SpectraBase Compound ID 3PRo5SBiBLL
InChI InChI=1S/C26H29NO7/c1-29-14-32-24-11-19-20(12-22(24)31-3)27(13-16-4-7-18(30-2)8-5-16)26(28)25(19)17-6-9-21-23(10-17)34-15-33-21/h4-11,20,22,24-25H,12-15H2,1-3H3/t20-,22-,24-,25-/m1/s1
InChIKey BLYJQPDBMRKIAX-NBUHOVDFSA-N
Mol Weight 467.52 g/mol
Molecular Formula C26H29NO7
Exact Mass 467.194402 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DCHSeccrgkU
Name (3R,5R,6R,7ar)-3-(Benzo[D][1,3]dioxol-5-yl)-6-methoxy-1-(4-methoxybenzyl)-5-(methoxymethoxy)-5,6,7,7A-tetrahydro-1H-indol-2(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.194402271 u
Formula C26H29NO7
InChI InChI=1S/C26H29NO7/c1-29-14-32-24-11-19-20(12-22(24)31-3)27(13-16-4-7-18(30-2)8-5-16)26(28)25(19)17-6-9-21-23(10-17)34-15-33-21/h4-11,20,22,24-25H,12-15H2,1-3H3/t20-,22-,24-,25-/m1/s1
InChIKey BLYJQPDBMRKIAX-NBUHOVDFSA-N
Molecular Weight 467.518 g/mol
SMILES C1=C2[C@](N(C([C@@]2(C2=CC3=C(C=C2)OCO3)[H])=O)CC2=CC=C(C=C2)OC)(C[C@]([C@@]1(OCOC)[H])(OC)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950032