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3-(3'-Methoxyphenyl)-2-(morpholinomethyl)-thiepan-3-ol-hydrochloride
SpectraBase Compound ID 7x95H9uWG7F
InChI InChI=1S/C18H27NO3S.ClH/c1-21-16-6-4-5-15(13-16)18(20)7-2-3-12-23-17(18)14-19-8-10-22-11-9-19;/h4-6,13,17,20H,2-3,7-12,14H2,1H3;1H
InChIKey MPDSQKHGCCEPQV-UHFFFAOYSA-N
Mol Weight 373.94 g/mol
Molecular Formula C18H28ClNO3S
Exact Mass 373.147843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cp9u8yYwcs9
Name 3-(3'-Methoxyphenyl)-2-(morpholinomethyl)-thiepan-3-ol-hydrochloride
Alternate Name(s) 3-(3'-Methoxyphenyl)-3-(morpholinomethyl)-thiepan-3-ol-hydrochloride 3-(3-Methoxyphenyl)-2-(morpholin-4-ylmethyl)thiepan-3-ol hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28ClNO3S
InChI InChI=1S/C18H27NO3S.ClH/c1-21-16-6-4-5-15(13-16)18(20)7-2-3-12-23-17(18)14-19-8-10-22-11-9-19;/h4-6,13,17,20H,2-3,7-12,14H2,1H3;1H
InChIKey MPDSQKHGCCEPQV-UHFFFAOYSA-N
Molecular Weight 373.939 g/mol
SMILES Cl.OC1(C(SCCCC1)CN1CCOCC1)c1cc(OC)ccc1
SPLASH splash10-0udi-2900000000-66f5ca6729c040516311
Source of Spectrum D8-330-363-11
Wiley ID 1516470