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Anti-2-(Tetrahydro-2-furanyl)butanedioic acid 1,4-bis(2-ethylhexyl) ester
SpectraBase Compound ID 5k7CCXGkHAo
InChI InChI=1S/C24H44O5/c1-5-9-12-19(7-3)17-28-23(25)16-21(22-14-11-15-27-22)24(26)29-18-20(8-4)13-10-6-2/h19-22H,5-18H2,1-4H3/t19?,20?,21-,22+/m0/s1
InChIKey DARRQTNAYSSSOA-QZNJRLLKSA-N
Mol Weight 412.6 g/mol
Molecular Formula C24H44O5
Exact Mass 412.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4os8z5YlV24
Name Anti-2-(Tetrahydro-2-furanyl)butanedioic acid 1,4-bis(2-ethylhexyl) ester
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H44O5
InChI InChI=1S/C24H44O5/c1-5-9-12-19(7-3)17-28-23(25)16-21(22-14-11-15-27-22)24(26)29-18-20(8-4)13-10-6-2/h19-22H,5-18H2,1-4H3/t19?,20?,21-,22+/m0/s1
InChIKey DARRQTNAYSSSOA-QZNJRLLKSA-N
Instrument Name Shimadzu GCMS-QP2010 plus
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.509
Molecular Weight 412.611 g/mol
Reported Formula C24H44O5
SMILES C1O[C@](CC1)([C@@](C(=O)OCC(CCCC)CC)(CC(OCC(CCCC)CC)=O)[H])[H]
SPLASH splash10-05fu-9000000000-6360bf2cf938dcc94a27
Source of Spectrum ARK-2021-152-3d-anti
Wiley ID 1873143