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5-[(3aR,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
SpectraBase Compound ID 1LctNxWqNvi
InChI InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19?,20?/m0/s1
InChIKey PEYUIKBAABKQKQ-NILVNCKXSA-N
Mol Weight 354.36 g/mol
Molecular Formula C20H18O6
Exact Mass 354.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlTMYnFtbea
Name Sesamin
CAS Registry Number 607-80-7
Classification Lignan of sesame oil
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 354.110338294 u
Formula C20H18O6
InChI InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19?,20?/m0/s1
InChIKey PEYUIKBAABKQKQ-NILVNCKXSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 354.358 g/mol
Nominal Mass 354 u
Quality 889
Retention Index 2756
SMILES [C@@]12([C@@](C(C3=CC4=C(C=C3)OCO4)OC2)(COC1C1=CC2=C(C=C1)OCO2)[H])[H]
SPLASH splash10-0f6t-1900000000-b0daa1e701b156d7fe5d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5,5'-(1S,3aR,4S,6aR)Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(1,3-benzodioxole)
Technique GC/MS
Wiley ID DD2024_030243