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Propanedioic acid, (1,2-dihydro-3-methyl-4-phenyl-2-naphthalenyl)-, dimethyl ester
SpectraBase Compound ID Hrp59mRrRSz
InChI InChI=1S/C22H22O4/c1-14-18(20(21(23)25-2)22(24)26-3)13-16-11-7-8-12-17(16)19(14)15-9-5-4-6-10-15/h4-12,18,20H,13H2,1-3H3
InChIKey SPSQRJQYUCGODE-UHFFFAOYSA-N
Mol Weight 350.41 g/mol
Molecular Formula C22H22O4
Exact Mass 350.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8CBgoGXyvVc
Name Propanedioic acid, (1,2-dihydro-3-methyl-4-phenyl-2-naphthalenyl)-, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 350.151809184 u
Formula C22H22O4
InChI InChI=1S/C22H22O4/c1-14-18(20(21(23)25-2)22(24)26-3)13-16-11-7-8-12-17(16)19(14)15-9-5-4-6-10-15/h4-12,18,20H,13H2,1-3H3
InChIKey SPSQRJQYUCGODE-UHFFFAOYSA-N
Molecular Weight 350.414 g/mol
SMILES C12=C(C=CC=C2)CC(C(=C1C1=CC=CC=C1)C)C(C(OC)=O)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901297