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1,2-Dioxin-3-acetic acid, 3,6-dihydro-6-methoxy-6-(10,12-tetradecadienyl)-, methyl ester, [3.alpha.,6.alpha.,6(10E,12E)]-
SpectraBase Compound ID 486PAbDlyAc
InChI InChI=1S/C22H36O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-22(25-3)18-16-20(26-27-22)19-21(23)24-2/h4-7,16,18,20H,8-15,17,19H2,1-3H3/b5-4+,7-6+
InChIKey HVYBFBDAGMLZEH-YTXTXJHMSA-N
Mol Weight 380.5 g/mol
Molecular Formula C22H36O5
Exact Mass 380.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZT0sPAZr9r
Name 1,2-Dioxin-3-acetic acid, 3,6-dihydro-6-methoxy-6-(10,12-tetradecadienyl)-, methyl ester, [3.alpha.,6.alpha.,6(10E,12E)]-
CAS Registry Number 107484-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O5
InChI InChI=1S/C22H36O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-22(25-3)18-16-20(26-27-22)19-21(23)24-2/h4-7,16,18,20H,8-15,17,19H2,1-3H3/b5-4+,7-6+
InChIKey HVYBFBDAGMLZEH-YTXTXJHMSA-N
Molecular Weight 380.525 g/mol
SMILES COC(=O)CC1OOC(CCCCCCCCC\C=C\C=C\C)(OC)C=C1
SPLASH splash10-05o3-9200000000-ab108c250ecf8158d985
Source of Spectrum F-43-268-8
Synonyms Methyl (6-methoxy-6-[(10E,12E)-10,12-tetradecadienyl]-3,6-dihydro-1,2-dioxin-3-yl)acetate 2-[6-methoxy-6-[(10E,12E)-tetradeca-10,12-dienyl]-3H-1,2-dioxin-3-yl]acetic acid methyl ester 2-[6-methoxy-6-[(10E,12E)-tetradeca-10,12-dienyl]-3H-o-dioxin-3-yl]acetic acid methyl ester Methyl 2-[6-methoxy-6-[(10E,12E)-tetradeca-10,12-dienyl]-3H-1,2-dioxin-3-yl]acetate Methyl 2-[6-methoxy-6-[(10E,12E)-tetradeca-10,12-dienyl]-3H-1,2-dioxin-3-yl]ethanoate
Wiley ID 1359833