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3-{2-[1-(Benzyloxy)ethyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-ol
SpectraBase Compound ID 6Qph4j0mG7d
InChI InChI=1S/C20H32O4S2/c1-4-22-19(23-5-2)18(21)14-20(25-12-9-13-26-20)16(3)24-15-17-10-7-6-8-11-17/h6-8,10-11,16,18-19,21H,4-5,9,12-15H2,1-3H3
InChIKey TWZDXRRSFKPHSI-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C20H32O4S2
Exact Mass 400.174202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aui9Lr8q3PB
Name 3-{2-[1-(Benzyloxy)ethyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4S2
InChI InChI=1S/C20H32O4S2/c1-4-22-19(23-5-2)18(21)14-20(25-12-9-13-26-20)16(3)24-15-17-10-7-6-8-11-17/h6-8,10-11,16,18-19,21H,4-5,9,12-15H2,1-3H3
InChIKey TWZDXRRSFKPHSI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200423
Molecular Weight 400.592 g/mol
SMILES OC(C(OCC)OCC)CC1(SCCCS1)C(C)OCc1ccccc1
SPLASH splash10-0abi-9300000000-27e3f98c0c017d440e95
Source of Spectrum H-95-2118-15b_Bn_II
Synonyms 3-(2-(1-(benzyloxy)ethyl)-1,3-dithian-2-yl)-1,1-diethoxypropan-2-ol
Wiley ID 1784209