(R) (3R,4'S,5'S) 4-(Benzo[1,3]dioxol-5-carbonyl)-3-[(benzo[1,3]dioxol-5'-yl)methyl]-4,5-dihydrofuran-2(3H)-one

SpectraBase Compound ID	FrX1UNTk6iM
InChI	InChI=1S/C26H30N2O5/c1-25(2)32-16-22(24(33-25)18-8-6-5-7-9-18)28(3)26(17-27,20-14-23(29)31-15-20)19-10-12-21(30-4)13-11-19/h5-13,20,22,24H,14-16H2,1-4H3/t20-,22-,24-,26-/m0/s1
InChIKey	NDHRZPWPASKNPS-GRLIWSMHSA-N Google Search
Mol Weight	450.54 g/mol
Molecular Formula	C26H30N2O5
Exact Mass	450.215472 g/mol

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SpectraBase Spectrum ID	BxjawRynJl9
Name	(R) (3R,4'S,5'S) 4-(Benzo[1,3]dioxol-5-carbonyl)-3-[(benzo[1,3]dioxol-5'-yl)methyl]-4,5-dihydrofuran-2(3H)-one
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	450.215472069 u
Formula	C26H30N2O5
InChI	InChI=1S/C26H30N2O5/c1-25(2)32-16-22(24(33-25)18-8-6-5-7-9-18)28(3)26(17-27,20-14-23(29)31-15-20)19-10-12-21(30-4)13-11-19/h5-13,20,22,24H,14-16H2,1-4H3/t20-,22-,24-,26-/m0/s1
InChIKey	NDHRZPWPASKNPS-GRLIWSMHSA-N
Molecular Weight	450.535 g/mol
SMILES	[C@@](N([C@@]1([C@@](OC(OC1)(C)C)(C1=CC=CC=C1)[H])[H])C)([C@]1(CC(=O)OC1)[H])(C#N)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.902595