(2S*,4S*,5R*)-4-(Phenylthio)tricyclo[4.2.1.0(2,5)]non-7-en-3-one

SpectraBase Compound ID	IRKTx0QRyZ0
InChI	InChI=1S/C15H14OS/c16-14-12-9-6-7-10(8-9)13(12)15(14)17-11-4-2-1-3-5-11/h1-7,9-10,12-13,15H,8H2/t9?,10?,12-,13+,15-/m0/s1
InChIKey	NVZPLPIZQPCGBB-KOJJDBOESA-N Google Search
Mol Weight	242.34 g/mol
Molecular Formula	C15H14OS
Exact Mass	242.076536 g/mol

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SpectraBase Spectrum ID	6NmPEhQLKFr
Name	(2S,4S,5R*)-4-(Phenylthio)tricyclo[4.2.1.0(2,5)]non-7-en-3-one
CAS Registry Number	67700-02-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H14OS
InChI	InChI=1S/C15H14OS/c16-14-12-9-6-7-10(8-9)13(12)15(14)17-11-4-2-1-3-5-11/h1-7,9-10,12-13,15H,8H2/t9?,10?,12-,13+,15-/m0/s1
InChIKey	NVZPLPIZQPCGBB-KOJJDBOESA-N
Molecular Weight	242.336 g/mol
SMILES	C1([C@]2(C3C=CC([C@]2([C@@]1(Sc1ccccc1)[H])[H])C3)[H])=O
SPLASH	splash10-0ar9-9600000000-3bd2f37429eaff796767
Source of Spectrum	J-43-4562-0
Synonyms	(2S,4S,5R)-4-(phenylsulfanyl)tricyclo[4.2.1.0(2,5)]non-7-en-3-one
Wiley ID	1245240