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[5R,6S,6(1R)]-6-(1-hydroxyethyl)-3-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, monosodium salt, 3-carbamate
SpectraBase Compound ID IrW4O5IvGH2
InChI InChI=1S/C10H12N2O6S.Na/c1-3(13)5-7(14)12-6(9(15)16)4(19-8(5)12)2-18-10(11)17;/h3,5,8,13H,2H2,1H3,(H2,11,17)(H,15,16);/q;+1/p-1/t3-,5+,8-;/m1./s1
InChIKey FPLQVCOCYJJHBC-HIQLJADVSA-M
Mol Weight 310.25576928 g/mol
Molecular Formula C10H11N2NaO6S
Exact Mass 310.023552 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5HuZpnxyoxx
Name [5R,6S,6(1R)-6-(1-HYDROXYETHYL)-3-(HYDROXYMETHYL)-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID, MONOSODIUM SALT, 3-CARBAMATE
Source of Sample C. Battistini, Farmitalia Carlo Erba S.p.A., Milan, Italy
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11N2NaO6S
InChI InChI=1S/C10H12N2O6S.Na/c1-3(13)5-7(14)12-6(9(15)16)4(19-8(5)12)2-18-10(11)17;/h3,5,8,13H,2H2,1H3,(H2,11,17)(H,15,16);/q;+1/p-1/t3-,5+,8-;/m1./s1
InChIKey FPLQVCOCYJJHBC-HIQLJADVSA-M
Literature Reference TETRAHEDRON LETT. 25, 2395(1984) Abstract-Chemical Abstracts= 101, 170938H(1984)
Molecular Weight 310.256012
Optical Properties Optical Rotation= (20C) +124 DEG (c=0.1, WATER)
Synonyms 4-THIA-1-AZABICYCLO/3.2.0/HEPT-2-ENE- 2-CARBOXYLIC ACID, 6-/1-HYDROXYETHYL/- 3-/HYDROXYMETHYL/-7-OXO-, MONOSODIUM SALT, 3-CARBAMATE, /5R,6S,6/1R//-, FCE-22101 FCE-22101
Technique 4000-1350 CM^-^1=MULLED IN PERFLUORINATED HYDROCARBON; 1350-450 CM^-^1=MULLED IN MINERAL OIL