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(2R,3R,4S)-2-[2-Octyl-5-oxo-4-(phenylthio)tetrahydrofuran-3-yl]acetate
SpectraBase Compound ID 1n3gfO5dxcW
InChI InChI=1S/C20H28O4S/c1-2-3-4-5-6-10-13-17-16(14-18(21)22)19(20(23)24-17)25-15-11-8-7-9-12-15/h7-9,11-12,16-17,19H,2-6,10,13-14H2,1H3,(H,21,22)/t16-,17-,19+/m1/s1
InChIKey QPOAXLQCIVFKQM-LMMKCTJWSA-N
Mol Weight 364.5 g/mol
Molecular Formula C20H28O4S
Exact Mass 364.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EGfj9xHeKO
Name (2R,3R,4S)-2-[2-Octyl-5-oxo-4-(phenylthio)tetrahydrofuran-3-yl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4S
InChI InChI=1S/C20H28O4S/c1-2-3-4-5-6-10-13-17-16(14-18(21)22)19(20(23)24-17)25-15-11-8-7-9-12-15/h7-9,11-12,16-17,19H,2-6,10,13-14H2,1H3,(H,21,22)/t16-,17-,19+/m1/s1
InChIKey QPOAXLQCIVFKQM-LMMKCTJWSA-N
Molecular Weight 364.500 g/mol
SMILES OC(C[C@]1([C@@](C(O[C@@]1(CCCCCCCC)[H])=O)(Sc1ccccc1)[H])[H])=O
SPLASH splash10-0bt9-0906000000-683742c03ef48a6ffbf0
Source of Spectrum J-61-8451-21
Synonyms (2R,3R,4S)-2-[2-Octyl-5-oxo-4-(phenylthio)tetrahydrofuran-3-yl]acetic acid 2-[(2R,3R,4S)-2-octyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid 2-[(2R,3R,4S)-2-octyl-5-oxo-4-phenylsulfanyloxolan-3-yl]acetic acid 2-[(2R,3R,4S)-2-octyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetic acid 2-[(2R,3R,4S)-2-octyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]ethanoic acid
Wiley ID 1350775