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2,3-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-methoxy-4-phenyl-, dimethyl ester, (1.alpha.,2.alpha.,3.beta.,4.alpha.)-(.+-.)-

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

2,3-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-methoxy-4-phenyl-, dimethyl ester, (1.alpha.,2.alpha.,3.beta.,4.alpha.)-(.+-.)-
SpectraBase Compound ID CF7GJsyOLyu
InChI InChI=1S/C21H22O5/c1-24-19-15-12-8-7-11-14(15)16(13-9-5-4-6-10-13)17(20(22)25-2)18(19)21(23)26-3/h4-12,16-19H,1-3H3/t16-,17+,18-,19+/m1/s1
InChIKey WIHUOKCWVHODIK-HCXYKTFWSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ejrdz7ae7T7
Name 2,3-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-methoxy-4-phenyl-, dimethyl ester, (1.alpha.,2.alpha.,3.beta.,4.alpha.)-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.146723803 u
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-24-19-15-12-8-7-11-14(15)16(13-9-5-4-6-10-13)17(20(22)25-2)18(19)21(23)26-3/h4-12,16-19H,1-3H3/t16-,17+,18-,19+/m1/s1
InChIKey WIHUOKCWVHODIK-HCXYKTFWSA-N
Molecular Weight 354.402 g/mol
SMILES [C@@]1([C@]([C@](C2=CC=CC=C2)(C2=C([C@@]1(OC)[H])C=CC=C2)[H])(C(=O)OC)[H])(C(=O)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956787