N-(Ethoxycarbonyl)-3-aza-7-(phenylthio)-9-oxobicyclo[3.3.1]non-6-ene

SpectraBase Compound ID	3IqpREWepYY
InChI	InChI=1S/C17H19NO3S/c1-2-21-17(20)18-10-12-8-15(9-13(11-18)16(12)19)22-14-6-4-3-5-7-14/h3-8,12-13H,2,9-11H2,1H3/t12-,13-/m1/s1
InChIKey	IFVYGGUVXSGVKU-CHWSQXEVSA-N Google Search
Mol Weight	317.4 g/mol
Molecular Formula	C17H19NO3S
Exact Mass	317.108565 g/mol

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SpectraBase Spectrum ID	DG8e1YNxMhd
Name	N-(Ethoxycarbonyl)-3-aza-7-(phenylthio)-9-oxobicyclo[3.3.1]non-6-ene
CAS Registry Number	90838-34-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H19NO3S
InChI	InChI=1S/C17H19NO3S/c1-2-21-17(20)18-10-12-8-15(9-13(11-18)16(12)19)22-14-6-4-3-5-7-14/h3-8,12-13H,2,9-11H2,1H3/t12-,13-/m1/s1
InChIKey	IFVYGGUVXSGVKU-CHWSQXEVSA-N
Molecular Weight	317.403 g/mol
SMILES	C(N1C[C@]2(C=C(C[C@](C1)(C2=O)[H])Sc1ccccc1)[H])(=O)OCC
SPLASH	splash10-014i-0029000000-64db871df7ea64ffe490
Source of Spectrum	J-49-3137-0
Synonyms	Ethyl 9-oxo-7-(phenylsulfanyl)-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate
Wiley ID	1317643