3,3-Dimethyl-7-oxo-6-(2-phenoxypropionamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, potassium salt

SpectraBase Compound ID	IEKRXffCTnc
InChI	InChI=1S/C17H20N2O5S.K/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19;/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23);/q;+1/p-1/t9?,11-,12?,15-;/m1./s1
InChIKey	ORMNNUPLFAPCFD-VNRVYMCDSA-M Google Search
Mol Weight	402.5063 g/mol
Molecular Formula	C17H19KN2O5S
Exact Mass	402.065174 g/mol

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SpectraBase Spectrum ID	7cN0plzBAlL
Name	3,3-Dimethyl-7-oxo-6-(2-phenoxypropionamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, potassium salt
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	402.065174379 u
Formula	C17H19KN2O5S
InChI	InChI=1S/C17H20N2O5S.K/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19;/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23);/q;+1/p-1/t9?,11-,12?,15-;/m1./s1
InChIKey	ORMNNUPLFAPCFD-VNRVYMCDSA-M
Molecular Weight	402.506 g/mol
SMILES	[K+].N(C(C(OC1=CC=CC=C1)C)=O)[C@]1([C@]2(SC(C(N2C1=O)C(=O)[O-])(C)C)[H])[H]
Spectrum/Structure Validation Score (Raman)	0.97881