2,4-Dithiabicyclo[3.2.1]octane, 5-hepten-1-ol deriv.

SpectraBase Compound ID	1gwA0LEfmHs
InChI	InChI=1S/C19H25ClOS2/c20-16-13-17-15(11-7-2-1-3-8-12-21)18(16)23-19(22-17)14-9-5-4-6-10-14/h2,4-7,9-10,15-19,21H,1,3,8,11-13H2/b7-2+/t15?,16-,17-,18-,19-/m0/s1
InChIKey	LABIMCWXGYGRMU-KTCCAMOMSA-N Google Search
Mol Weight	368.98 g/mol
Molecular Formula	C19H25ClOS2
Exact Mass	368.103535 g/mol

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SpectraBase Spectrum ID	6qXDnf9QMlt
Name	2,4-Dithiabicyclo[3.2.1]octane, 5-hepten-1-ol deriv.
CAS Registry Number	106470-46-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H25ClOS2
InChI	InChI=1S/C19H25ClOS2/c20-16-13-17-15(11-7-2-1-3-8-12-21)18(16)23-19(22-17)14-9-5-4-6-10-14/h2,4-7,9-10,15-19,21H,1,3,8,11-13H2/b7-2+/t15?,16-,17-,18-,19-/m0/s1
InChIKey	LABIMCWXGYGRMU-KTCCAMOMSA-N
Molecular Weight	368.981 g/mol
SMILES	OCCCC\C=C\CC1[C@@]2(S[C@](S[C@@]1([H])C[C@@]2(Cl)[H])(c1ccccc1)[H])[H]
SPLASH	splash10-03xr-0096000000-d4afc720be5575af9282
Source of Spectrum	J-52-874-38
Synonyms	5-Hepten-1-ol, 7-(6-chloro-3-phenyl-2,4-dithiabicyclo[3.2.1]oct-8-yl)-, [1.alpha.,3.alpha.,5.alpha.,6.alpha.,8R*(Z)]-(.+-.)- (5E)-7-[(1S,3S,5S,6S)-6-chloro-3-phenyl-2,4-dithiabicyclo[3.2.1]oct-8-yl]-5-hepten-1-ol (Z)-(1RS,3SR,5RS,6RS,8RS)-6-chloro-8-(7-hydroxy-2-heptenyl)-3-phenyl-2,4-dithiabicyc[3.2.1]octane
Wiley ID	1352929