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1,1,3,3,4-Pentamethyl-6-t-butyl-2,3-dihydroindene

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1,1,3,3,4-Pentamethyl-6-t-butyl-2,3-dihydroindene
SpectraBase Compound ID 1FVnmylG7Pj
InChI InChI=1S/C18H28/c1-12-9-13(16(2,3)4)10-14-15(12)18(7,8)11-17(14,5)6/h9-10H,11H2,1-8H3
InChIKey NUXNPKFDIVDYRD-UHFFFAOYSA-N
Mol Weight 244.42 g/mol
Molecular Formula C18H28
Exact Mass 244.219101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H2mQJB96cy0
Name 1,1,3,3,4-Pentamethyl-6-T-butyl-2,3-dihydroindene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.219100902 u
Formula C18H28
InChI InChI=1S/C18H28/c1-12-9-13(16(2,3)4)10-14-15(12)18(7,8)11-17(14,5)6/h9-10H,11H2,1-8H3
InChIKey NUXNPKFDIVDYRD-UHFFFAOYSA-N
Molecular Weight 244.422 g/mol
SMILES C12=C(C(C)(C)CC2(C)C)C(C)=CC(=C1)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942942