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Anti-2-(Tetrahydro-2-furanyl)butanedioic acid 1,4-didecyl ester
SpectraBase Compound ID IDUGgrp7PE1
InChI InChI=1S/C28H52O5/c1-3-5-7-9-11-13-15-17-21-32-27(29)24-25(26-20-19-23-31-26)28(30)33-22-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3/t25-,26+/m0/s1
InChIKey IEDTZFQSEPFFQW-IZZNHLLZSA-N
Mol Weight 468.7 g/mol
Molecular Formula C28H52O5
Exact Mass 468.381475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNVunvMPo2L
Name Anti-2-(Tetrahydro-2-furanyl)butanedioic acid 1,4-didecyl ester
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H52O5
InChI InChI=1S/C28H52O5/c1-3-5-7-9-11-13-15-17-21-32-27(29)24-25(26-20-19-23-31-26)28(30)33-22-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3/t25-,26+/m0/s1
InChIKey IEDTZFQSEPFFQW-IZZNHLLZSA-N
Instrument Name Shimadzu GCMS-QP2010 plus
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.509
Molecular Weight 468.719 g/mol
Reported Formula C28H52O5
SMILES C1O[C@](CC1)([C@@](C(=O)OCCCCCCCCCC)(CC(OCCCCCCCCCC)=O)[H])[H]
SPLASH splash10-00dl-9000000000-9c3998f408dcfc4f28d4
Source of Spectrum ARK-2021-151-3c-anti
Wiley ID 1873141