Spectrum CCMSLIB00000078165 for Cefaclor (Ceclor)

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
53994-73-3
C15H14ClN3O4S
367.039354608
O=C(O)C1=C(Cl)CSC2N1C(=O)C2NC(=O)C(N)C=3C=CC=CC3
InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
QYIYFLOTGYLRGG-GPCCPHFNSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
367.039
1
Plate3_1_20_GG9_01_16498.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
4.757918944106106
0.9222461610036442
368.047
[M+H]+
0.88197431298516 ppm
-3.2460799997124923E-4 Da