1-Benzyl-4-(hydroxymethyl)-6,8-dimethyl-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-dione

SpectraBase Compound ID	5bjEBMQelmx
InChI	InChI=1S/C14H16N2O3S2/c1-15-12(19)14(9-17)16(2)11(18)13(15,20-21-14)8-10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3/t13-,14-/m0/s1
InChIKey	SJRIMIDQFZMJPZ-KBPBESRZSA-N Google Search
Mol Weight	324.41 g/mol
Molecular Formula	C14H16N2O3S2
Exact Mass	324.060235 g/mol

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SpectraBase Spectrum ID	Ck0hnOs1ZfA
Name	1-Benzyl-4-(hydroxymethyl)-6,8-dimethyl-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-dione
CAS Registry Number	53777-19-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H16N2O3S2
InChI	InChI=1S/C14H16N2O3S2/c1-15-12(19)14(9-17)16(2)11(18)13(15,20-21-14)8-10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3/t13-,14-/m0/s1
InChIKey	SJRIMIDQFZMJPZ-KBPBESRZSA-N
Molecular Weight	324.413 g/mol
SMILES	OC[C@@]12SS[C@](N(C2=O)C)(C(N1C)=O)Cc1ccccc1
SPLASH	splash10-0006-9040000000-1c8ad0177d90129848ee
Source of Spectrum	J-45-2630-0
Synonyms	1-Benzyl-6,8-dimethyl-4-methylol-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-quinone 4-(hydroxymethyl)-6,8-dimethyl-1-(phenylmethyl)-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-dione
Wiley ID	1322875