3-[(1S.5S,6R)-5-Acetoxy-6-(p-tolylthio)bicyclo[4.1.0]hept-1-yl]propyl acetate

SpectraBase Compound ID	9CbZKPXXMSj
InChI	InChI=1S/C21H28O4S/c1-15-7-9-18(10-8-15)26-21-14-20(21,12-5-13-24-16(2)22)11-4-6-19(21)25-17(3)23/h7-10,19H,4-6,11-14H2,1-3H3/t19-,20+,21+/m1/s1
InChIKey	RSQGJJITYMAUJU-HKBOAZHASA-N Google Search
Mol Weight	376.51 g/mol
Molecular Formula	C21H28O4S
Exact Mass	376.170831 g/mol

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SpectraBase Spectrum ID	A5c7zwVSQA0
Name	3-[(1S.5S,6R)-5-Acetoxy-6-(p-tolylthio)bicyclo[4.1.0]hept-1-yl]propyl acetate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H28O4S
InChI	InChI=1S/C21H28O4S/c1-15-7-9-18(10-8-15)26-21-14-20(21,12-5-13-24-16(2)22)11-4-6-19(21)25-17(3)23/h7-10,19H,4-6,11-14H2,1-3H3/t19-,20+,21+/m1/s1
InChIKey	RSQGJJITYMAUJU-HKBOAZHASA-N
Molecular Weight	376.511 g/mol
SMILES	[C@]12([C@@](CCC[C@]2(OC(=O)C)[H])(CCCOC(=O)C)C1)Sc1ccc(cc1)C
SPLASH	splash10-0159-0409000000-416eda14a1bd92d23974
Source of Spectrum	E1-43-1864-15
Synonyms	3-{(1S,5R,6R)-5-(acetyloxy)-6-[(4-methylphenyl)sulfanyl]bicyclo[4.1.0]hept-1-yl}propyl acetate
Wiley ID	1553193