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Dihydro - retene

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

Dihydro - retene
SpectraBase Compound ID 2WSBePLViV8
InChI InChI=1S/C18H20/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-7,10-12H,8-9H2,1-3H3
InChIKey FRPONBNCILSQLG-UHFFFAOYSA-N
Mol Weight 236.36 g/mol
Molecular Formula C18H20
Exact Mass 236.156501 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LPGXMp7iAzk
Name Dihydro - retene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.156500644 u
Formula C18H20
InChI InChI=1S/C18H20/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-7,10-12H,8-9H2,1-3H3
InChIKey FRPONBNCILSQLG-UHFFFAOYSA-N
Molecular Weight 236.358 g/mol
SMILES C=12C=3C(=CC(C(C)C)=CC3)CCC1C(C)=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949004