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3-O-benzoyl-2-deoxy-2-deoxy-4,5-O-isopropylidene-D-erythro-pentose dipropyl mercaptal
SpectraBase Compound ID IGsyFFnSZB0
InChI InChI=1S/C21H32O4S2/c1-5-12-26-18-16(22-14-15-10-8-7-9-11-15)17-19(25-21(3,4)24-17)23-20(18)27-13-6-2/h7-11,16-20H,5-6,12-14H2,1-4H3
InChIKey BSFRFPQQTFLBQB-UHFFFAOYSA-N
Mol Weight 412.6 g/mol
Molecular Formula C21H32O4S2
Exact Mass 412.174202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4OZcOJrAyU
Name 3-O-benzoyl-2-deoxy-2-deoxy-4,5-O-isopropylidene-D-erythro-pentose dipropyl mercaptal
Alternate Name(s) 7-(benzyloxy)-2,2-dimethyl-5,6-bis(propylsulfanyl)-hexahydro-[1,3]dioxolo[4,5-b]pyran
CAS Registry Number 111689-70-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4S2
InChI InChI=1S/C21H32O4S2/c1-5-12-26-18-16(22-14-15-10-8-7-9-11-15)17-19(25-21(3,4)24-17)23-20(18)27-13-6-2/h7-11,16-20H,5-6,12-14H2,1-4H3
InChIKey BSFRFPQQTFLBQB-UHFFFAOYSA-N
Molecular Weight 412.603 g/mol
SMILES C12C(OC(C(C2OCc2ccccc2)SCCC)SCCC)OC(O1)(C)C
SPLASH splash10-0a4i-0940000000-0d29112600c57d450620
Source of Spectrum J-53-834-6
Wiley ID 1374359