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1-Isopropyl-1-allyl-3,3-bis(3-phenylpropoxymethyl)cyclobutane

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1-Isopropyl-1-allyl-3,3-bis(3-phenylpropoxymethyl)cyclobutane
SpectraBase Compound ID ATu8OJotiA8
InChI InChI=1S/C30H42O2/c1-4-19-30(26(2)3)22-29(23-30,24-31-20-11-17-27-13-7-5-8-14-27)25-32-21-12-18-28-15-9-6-10-16-28/h4-10,13-16,26H,1,11-12,17-25H2,2-3H3
InChIKey SNTCVGCPIPHBFD-UHFFFAOYSA-N
Mol Weight 434.7 g/mol
Molecular Formula C30H42O2
Exact Mass 434.318481 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6tzLeNbyymM
Name 1-Isopropyl-1-allyl-3,3-bis(3-phenylpropoxymethyl)cyclobutane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.318480590 u
Formula C30H42O2
InChI InChI=1S/C30H42O2/c1-4-19-30(26(2)3)22-29(23-30,24-31-20-11-17-27-13-7-5-8-14-27)25-32-21-12-18-28-15-9-6-10-16-28/h4-10,13-16,26H,1,11-12,17-25H2,2-3H3
InChIKey SNTCVGCPIPHBFD-UHFFFAOYSA-N
Molecular Weight 434.664 g/mol
SMILES C1(CC(C1)(COCCCC1=CC=CC=C1)COCCCC=1C=CC=CC1)(C(C)C)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960899