Pinoresinol - bis[3',3'-dimethylallyl ether] - Optional[Vapor Phase IR] - Spectrum

SpectraBase Compound ID	4yomxUgve5R
InChI	InChI=1S/C30H38O6/c1-19(2)11-13-33-25-9-7-21(15-27(25)31-5)29-23-17-36-30(24(23)18-35-29)22-8-10-26(28(16-22)32-6)34-14-12-20(3)4/h7-12,15-16,23-24,29-30H,13-14,17-18H2,1-6H3/t23-,24-,29?,30?/m0/s1
InChIKey	DCSGDXQKLWVLEX-XKLJBVKJSA-N Google Search
Mol Weight	494.6 g/mol
Molecular Formula	C30H38O6
Exact Mass	494.266839 g/mol

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SpectraBase Spectrum ID	ATk5CLzSjs7
Name	Pinoresinol - bis[3',3'-dimethylallyl ether]
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	494.266838938 u
Formula	C30H38O6
InChI	InChI=1S/C30H38O6/c1-19(2)11-13-33-25-9-7-21(15-27(25)31-5)29-23-17-36-30(24(23)18-35-29)22-8-10-26(28(16-22)32-6)34-14-12-20(3)4/h7-12,15-16,23-24,29-30H,13-14,17-18H2,1-6H3/t23-,24-,29?,30?/m0/s1
InChIKey	DCSGDXQKLWVLEX-XKLJBVKJSA-N
Molecular Weight	494.628 g/mol
SMILES	[C@]12([C@@](C(C=3C=C(OC)C(=CC3)OCC=C(C)C)OC1)(COC2C=1C=C(OC)C(=CC1)OCC=C(C)C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.892191