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(3R*/S*,7S*)-7-[3-(Benzyloxy)propyl]-3-methyl-6,7-dihydro-3H-[1,2]oxathiepine-2,2-dioxide
SpectraBase Compound ID KMOkPEbbPJy
InChI InChI=1S/C16H22O4S/c1-14-7-5-10-16(20-21(14,17)18)11-6-12-19-13-15-8-3-2-4-9-15/h2-5,7-9,14,16H,6,10-13H2,1H3/t14-,16-/m1/s1
InChIKey DQSPQWJXZKIKCI-GDBMZVCRSA-N
Mol Weight 310.41 g/mol
Molecular Formula C16H22O4S
Exact Mass 310.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7K9txdDICDF
Name (3R*/S*,7S*)-7-[3-(Benzyloxy)propyl]-3-methyl-6,7-dihydro-3H-[1,2]oxathiepine-2,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4S
InChI InChI=1S/C16H22O4S/c1-14-7-5-10-16(20-21(14,17)18)11-6-12-19-13-15-8-3-2-4-9-15/h2-5,7-9,14,16H,6,10-13H2,1H3/t14-,16-/m1/s1
InChIKey DQSPQWJXZKIKCI-GDBMZVCRSA-N
Molecular Weight 310.408 g/mol
SMILES [C@@]1(OS([C@@](C=CC1)(C)[H])(=O)=O)(CCCOCc1ccccc1)[H]
SPLASH splash10-0006-9200000000-84d359636a8e09aa2dc4
Source of Spectrum F-62-9028-6
Synonyms (3R*/S*,7S*)-7-[3-(Benzyloxy)propyl]-3-methyl-3H-[1,2]oxathiepine-2,2-dioxide (3R,7S)-7-[3-(benzyloxy)propyl]-3-methyl-6,7-dihydro-3H-1,2-oxathiepin 2,2-dioxide benzyl 3-[(3R,7S)-3-methyl-2,2-dioxido-6,7-dihydro-3H-1,2-oxathiepin-7-yl]propyl ether
Wiley ID 1640660