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Hanishenol A

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

Hanishenol A
SpectraBase Compound ID 6BbrVYueibm
InChI InChI=1S/C27H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30-26-27(29)25-28/h18-19,23-24,27-29H,2-17,20-22,25-26H2,1H3/b19-18-,24-23-
InChIKey UZMCKFMTMPGUBS-ZGFCXLKBSA-N
Mol Weight 424.7 g/mol
Molecular Formula C27H52O3
Exact Mass 424.391646 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3qHtjlXI5Qq
Name Hanishenol A
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.391645531 u
Formula C27H52O3
InChI InChI=1S/C27H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30-26-27(29)25-28/h18-19,23-24,27-29H,2-17,20-22,25-26H2,1H3/b19-18-,24-23-
InChIKey UZMCKFMTMPGUBS-ZGFCXLKBSA-N
Molecular Weight 424.710 g/mol
SMILES C(\C=C/OCC(O)CO)CC\C=C/CCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842006