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Justin C

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

Justin C
SpectraBase Compound ID HutNs0hnJBP
InChI InChI=1S/C26H34O9/c1-16(27)34-14-20(9-18-7-8-22(30-3)23(11-18)31-4)21(15-35-17(2)28)10-19-12-24(32-5)26(29)25(13-19)33-6/h7-8,11-13,20-21,29H,9-10,14-15H2,1-6H3/t20-,21-/m0/s1
InChIKey JSFBCUIUOOCNBJ-SFTDATJTSA-N
Mol Weight 490.5 g/mol
Molecular Formula C26H34O9
Exact Mass 490.220283 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DcxKJGebIHo
Name Justin C
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.220282666 u
Formula C26H34O9
InChI InChI=1S/C26H34O9/c1-16(27)34-14-20(9-18-7-8-22(30-3)23(11-18)31-4)21(15-35-17(2)28)10-19-12-24(32-5)26(29)25(13-19)33-6/h7-8,11-13,20-21,29H,9-10,14-15H2,1-6H3/t20-,21-/m0/s1
InChIKey JSFBCUIUOOCNBJ-SFTDATJTSA-N
Molecular Weight 490.549 g/mol
SMILES C1(=C(C=C(C=C1OC)C[C@]([C@@](CC1=CC(OC)=C(C=C1)OC)(COC(=O)C)[H])(COC(=O)C)[H])OC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923318