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1-Isopropyl-3-methyl-6-methylene-1,1a,2,3,6,6b-hexahydro-1H-cyclopropa[e]indene dimer

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-Isopropyl-3-methyl-6-methylene-1,1a,2,3,6,6b-hexahydro-1H-cyclopropa[e]indene dimer
SpectraBase Compound ID 8pAjFhvbkkx
InChI InChI=1S/2C15H20/c2*1-8(2)13-12-7-10(4)11-6-5-9(3)14(11)15(12)13/h2*5-6,8,10,12-13,15H,3,7H2,1-2,4H3/t2*10-,12+,13+,15+/m11/s1
InChIKey JQVOHQBRBDXALN-ZLCZFGDLSA-N
Mol Weight 400.65 g/mol
Molecular Formula C30H40
Exact Mass 400.313001 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C4qPTFkztJ9
Name 1-Isopropyl-3-methyl-6-methylene-1,1A,2,3,6,6B-hexahydro-1H-cyclopropa[E]indene dimer
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.313001288 u
Formula C30H40
InChI InChI=1S/2C15H20/c2*1-8(2)13-12-7-10(4)11-6-5-9(3)14(11)15(12)13/h2*5-6,8,10,12-13,15H,3,7H2,1-2,4H3/t2*10-,12+,13+,15+/m11/s1
InChIKey JQVOHQBRBDXALN-ZLCZFGDLSA-N
Molecular Weight 400.650 g/mol
SMILES [C@@]12(C3=C(C=CC3=C)[C@@](C[C@@]1([H])[C@@]2(C(C)C)[H])(C)[H])[H].[C@@]12(C3=C(C=CC3=C)[C@@](C[C@@]1([H])[C@@]2(C(C)C)[H])(C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905298