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3-(3'-Methoxyphenyl)-2-(morpholinomethyl)-thiepan-4-ol Hydrochloride
SpectraBase Compound ID DLP4TbeldrP
InChI InChI=1S/C18H27NO3S.ClH/c1-21-15-5-2-4-14(12-15)18-16(20)6-3-11-23-17(18)13-19-7-9-22-10-8-19;/h2,4-5,12,16-18,20H,3,6-11,13H2,1H3;1H
InChIKey OPDPYAKVELITIO-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 L2rWrryr7Z6
Name 3-(3'-Methoxyphenyl)-2-(morpholinomethyl)-thiepan-4-ol Hydrochloride
Alternate Name(s) 3-(3-Methoxyphenyl)-2-(morpholinomethyl)thiepan-4-ol hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28ClNO3S
InChI InChI=1S/C18H27NO3S.ClH/c1-21-15-5-2-4-14(12-15)18-16(20)6-3-11-23-17(18)13-19-7-9-22-10-8-19;/h2,4-5,12,16-18,20H,3,6-11,13H2,1H3;1H
InChIKey OPDPYAKVELITIO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19973301109
Molecular Weight 373.939 g/mol
SMILES OC1C(C(SCCC1)CN1CCOCC1)c1cc(ccc1)OC.Cl
SPLASH splash10-0udi-2900000000-66f5ca6729c040516311
Source of Spectrum APP-330-363-11
Wiley ID 1770111