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4-Hydroxysesamin

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

4-Hydroxysesamin
SpectraBase Compound ID Kt2lrbFnxFu
InChI InChI=1S/C20H18O7/c21-20-17-12(18(27-20)10-1-3-13-15(5-10)25-8-23-13)7-22-19(17)11-2-4-14-16(6-11)26-9-24-14/h1-6,12,17-21H,7-9H2/t12-,17-,18+,19+,20+/m1/s1
InChIKey AWLJZFUREZNLGG-ZRZRPREKSA-N
Mol Weight 370.36 g/mol
Molecular Formula C20H18O7
Exact Mass 370.105253 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 35qSMLmTZ14
Name 4-Hydroxysesamin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.105252913 u
Formula C20H18O7
InChI InChI=1S/C20H18O7/c21-20-17-12(18(27-20)10-1-3-13-15(5-10)25-8-23-13)7-22-19(17)11-2-4-14-16(6-11)26-9-24-14/h1-6,12,17-21H,7-9H2/t12-,17-,18+,19+,20+/m1/s1
InChIKey AWLJZFUREZNLGG-ZRZRPREKSA-N
Molecular Weight 370.357 g/mol
SMILES [C@]12([C@]([C@](C3=CC=4OCOC4C=C3)(O[C@@]2(O)[H])[H])(CO[C@]1(C1=CC=2OCOC2C=C1)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951143