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Terephthalic acid, 1-adamantylmethyl pentyl ester
SpectraBase Compound ID 7r7NsFTbPYb
InChI InChI=1S/C24H32O4/c1-2-3-4-9-27-22(25)20-5-7-21(8-6-20)23(26)28-16-24-13-17-10-18(14-24)12-19(11-17)15-24/h5-8,17-19H,2-4,9-16H2,1H3/t17-,18+,19-,24-
InChIKey JQXVREQMFBZMPC-PCFUMONKSA-N
Mol Weight 384.5 g/mol
Molecular Formula C24H32O4
Exact Mass 384.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1sEyw8pFhP6
Name Terephthalic acid, 1-adamantylmethyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.230059506 u
Formula C24H32O4
InChI InChI=1S/C24H32O4/c1-2-3-4-9-27-22(25)20-5-7-21(8-6-20)23(26)28-16-24-13-17-10-18(14-24)12-19(11-17)15-24/h5-8,17-19H,2-4,9-16H2,1H3/t17-,18+,19-,24-
InChIKey JQXVREQMFBZMPC-PCFUMONKSA-N
Molecular Weight 384.516 g/mol
SMILES C1=CC(=CC=C1C(OCCCCC)=O)C(OCC12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923528