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3-{2-[1-(Benzyloxy)-1-methylethyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-one
SpectraBase Compound ID LKDt5pD4Ywh
InChI InChI=1S/C21H32O4S2/c1-5-23-19(24-6-2)18(22)15-21(26-13-10-14-27-21)20(3,4)25-16-17-11-8-7-9-12-17/h7-9,11-12,19H,5-6,10,13-16H2,1-4H3
InChIKey AZBPXBSIRVEBFL-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 ETn92RTzhHM
Name 3-{2-[1-(Benzyloxy)-1-methylethyl]-1,3-dithian-2-yl}-1,1-diethoxypropan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4S2
InChI InChI=1S/C21H32O4S2/c1-5-23-19(24-6-2)18(22)15-21(26-13-10-14-27-21)20(3,4)25-16-17-11-8-7-9-12-17/h7-9,11-12,19H,5-6,10,13-16H2,1-4H3
InChIKey AZBPXBSIRVEBFL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200423
Molecular Weight 412.603 g/mol
SMILES C(OCC)(OCC)C(CC1(SCCCS1)C(OCc1ccccc1)(C)C)=O
SPLASH splash10-0udl-9510000000-73e79522d1b7999021a5
Source of Spectrum H-95-2117-11e_Bn
Synonyms 3-(2-(2-(benzyloxy)propan-2-yl)-1,3-dithian-2-yl)-1,1-diethoxypropan-2-one
Wiley ID 1784204