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anti-2-(Tetrahydro-2-furanyl)butanedioic acid 1,4-di-tert-butyl ester
SpectraBase Compound ID Be6RkoZgkA1
InChI InChI=1S/C16H28O5/c1-15(2,3)20-13(17)10-11(12-8-7-9-19-12)14(18)21-16(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12+/m0/s1
InChIKey ODHLALIQPCYFTL-NWDGAFQWSA-N
Mol Weight 300.4 g/mol
Molecular Formula C16H28O5
Exact Mass 300.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VELZ4RHbe3
Name anti-2-(Tetrahydro-2-furanyl)butanedioic acid 1,4-di-tert-butyl ester
Appearance Colorless oil
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Formula C16H28O5
InChI InChI=1S/C16H28O5/c1-15(2,3)20-13(17)10-11(12-8-7-9-19-12)14(18)21-16(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12+/m0/s1
InChIKey ODHLALIQPCYFTL-NWDGAFQWSA-N
Instrument Name Shimadzu GCMS-QP2010 plus
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.509
Molecular Weight 300.395 g/mol
Reported Formula C16H28O5
SMILES C1O[C@](CC1)([C@@](C(=O)OC(C)(C)C)(CC(OC(C)(C)C)=O)[H])[H]
SPLASH splash10-052f-9000000000-5804a4fb22cbd7d868c2
Source of Spectrum ARK-2021-152-3f-anti
Wiley ID 1873147