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2-Ethylhexyl dehydroabietate

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Ethylhexyl dehydroabietate
SpectraBase Compound ID 84YOdJlCwm
InChI InChI=1S/C28H44O2/c1-7-9-11-21(8-2)19-30-26(29)28(6)17-10-16-27(5)24-14-12-22(20(3)4)18-23(24)13-15-25(27)28/h12,14,18,20-21,25H,7-11,13,15-17,19H2,1-6H3
InChIKey JDIHCTIAKLXFBH-UHFFFAOYSA-N
Mol Weight 412.7 g/mol
Molecular Formula C28H44O2
Exact Mass 412.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HtiYRZYsSki
Name 2-Ethylhexyl dehydroabietate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.334130655 u
Formula C28H44O2
InChI InChI=1S/C28H44O2/c1-7-9-11-21(8-2)19-30-26(29)28(6)17-10-16-27(5)24-14-12-22(20(3)4)18-23(24)13-15-25(27)28/h12,14,18,20-21,25H,7-11,13,15-17,19H2,1-6H3
InChIKey JDIHCTIAKLXFBH-UHFFFAOYSA-N
Molecular Weight 412.658 g/mol
SMILES C(C(CCCC)CC)OC(=O)C1(C2C(C)(C3=C(CC2)C=C(C=C3)C(C)C)CCC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800231