4-[N-[(3R/S)-2,3-Dihydro-5-benzyloxy-2,2,4,6,7-pentamethylbenzofuran-3-ylmethyl)-(3R)-piperidinoxy]benzaldehyde

SpectraBase Compound ID	3hEADTdjVPO
InChI	InChI=1S/C33H39NO4/c1-22-23(2)32-30(24(3)31(22)37-20-26-10-7-6-8-11-26)29(33(4,5)38-32)18-34-17-9-12-27(34)21-36-28-15-13-25(19-35)14-16-28/h6-8,10-11,13-16,19,27,29H,9,12,17-18,20-21H2,1-5H3/t27-,29?/m0/s1
InChIKey	DFZJDWNJLOMRQE-BVOOQYFDSA-N Google Search
Mol Weight	513.7 g/mol
Molecular Formula	C33H39NO4
Exact Mass	513.287909 g/mol

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SpectraBase Spectrum ID	2S3LoTWa66O
Name	4-[N-[(3R/S)-2,3-Dihydro-5-benzyloxy-2,2,4,6,7-pentamethylbenzofuran-3-ylmethyl)-(3R)-piperidinoxy]benzaldehyde
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	513.287908736 u
Formula	C33H39NO4
InChI	InChI=1S/C33H39NO4/c1-22-23(2)32-30(24(3)31(22)37-20-26-10-7-6-8-11-26)29(33(4,5)38-32)18-34-17-9-12-27(34)21-36-28-15-13-25(19-35)14-16-28/h6-8,10-11,13-16,19,27,29H,9,12,17-18,20-21H2,1-5H3/t27-,29?/m0/s1
InChIKey	DFZJDWNJLOMRQE-BVOOQYFDSA-N
Molecular Weight	513.678 g/mol
SMILES	C=12C(C(C)(C)OC2=C(C)C(=C(C1C)OCC1=CC=CC=C1)C)CN1[C@](COC2=CC=C(C=O)C=C2)(CCC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.853711