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Vitamin A2 aldehyde

View entire compound with spectra: 7 NMR, 1 FTIR, and 1 MS (GC)

Vitamin A2 aldehyde
SpectraBase Compound ID 7EJRaVzWCjd
InChI InChI=1S/C20H26O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,15H,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKey QHNVWXUULMZJKD-OVSJKPMPSA-N
Mol Weight 282.43 g/mol
Molecular Formula C20H26O
Exact Mass 282.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CwjRqckzRda
Name Vitamin-A2-aldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.198365456 u
Formula C20H26O
InChI InChI=1S/C20H26O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,15H,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKey QHNVWXUULMZJKD-OVSJKPMPSA-N
Molecular Weight 282.427 g/mol
SMILES C(=O)\C=C\(\C=C\C=C\(\C=C\C1=C(C=CCC1(C)C)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902707