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1,4-Bis(1'-methylcyclopropyl)buta-1,3-diene

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1,4-Bis(1'-methylcyclopropyl)buta-1,3-diene
SpectraBase Compound ID 7AeH4SJb1A
InChI InChI=1S/C12H18/c1-11(7-8-11)5-3-4-6-12(2)9-10-12/h3-6H,7-10H2,1-2H3/b5-3+,6-4+
InChIKey WLCRRDRPFGMELZ-GGWOSOGESA-N
Mol Weight 162.28 g/mol
Molecular Formula C12H18
Exact Mass 162.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3SZ02SBUd2O
Name 1,4-bis(1'-Methylcyclopropyl)buta-1,3-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 162.140850580 u
Formula C12H18
InChI InChI=1S/C12H18/c1-11(7-8-11)5-3-4-6-12(2)9-10-12/h3-6H,7-10H2,1-2H3/b5-3+,6-4+
InChIKey WLCRRDRPFGMELZ-GGWOSOGESA-N
Molecular Weight 162.276 g/mol
SMILES C1(CC1)(\C=C\C=C\C1(CC1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823896