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Phthalic acid, 2-(1-adamantyl)ethyl isobutyl ester
SpectraBase Compound ID K2PSitWpiKe
InChI InChI=1S/C24H32O4/c1-16(2)15-28-23(26)21-6-4-3-5-20(21)22(25)27-8-7-24-12-17-9-18(13-24)11-19(10-17)14-24/h3-6,16-19H,7-15H2,1-2H3/t17-,18+,19-,24+
InChIKey DACTXCOZIPXZPU-KSNQQSQUSA-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 JyAN3ThKn8Q
Name Phthalic acid, 2-(1-adamantyl)ethyl isobutyl 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/c1-16(2)15-28-23(26)21-6-4-3-5-20(21)22(25)27-8-7-24-12-17-9-18(13-24)11-19(10-17)14-24/h3-6,16-19H,7-15H2,1-2H3/t17-,18+,19-,24+
InChIKey DACTXCOZIPXZPU-KSNQQSQUSA-N
Molecular Weight 384.516 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC(C)C)C(=O)OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87557