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Cyclohepta[de]naphthalen-7(8H)-one, 8,8-bis(3-methylbutoxy)-
SpectraBase Compound ID mo4WYnwbdc
InChI InChI=1S/C24H30O3/c1-17(2)12-15-26-24(27-16-13-18(3)4)14-11-20-8-5-7-19-9-6-10-21(22(19)20)23(24)25/h5-11,14,17-18H,12-13,15-16H2,1-4H3
InChIKey BZELAHFETXYREQ-UHFFFAOYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C24H30O3
Exact Mass 366.219495 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GSzczJ2t5aM
Name Cyclohepta[de]naphthalen-7(8H)-one, 8,8-bis(3-methylbutoxy)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.219494823 u
Formula C24H30O3
InChI InChI=1S/C24H30O3/c1-17(2)12-15-26-24(27-16-13-18(3)4)14-11-20-8-5-7-19-9-6-10-21(22(19)20)23(24)25/h5-11,14,17-18H,12-13,15-16H2,1-4H3
InChIKey BZELAHFETXYREQ-UHFFFAOYSA-N
Molecular Weight 366.501 g/mol
SMILES C=12C(C(C=CC3=C2C(=CC=C3)C=CC1)(OCCC(C)C)OCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827095