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Ethyl Chlorohematommate
SpectraBase Compound ID KRkaJvK8ZNd
InChI InChI=1S/C11H11ClO5/c1-3-17-11(16)7-5(2)8(12)10(15)6(4-13)9(7)14/h4,14-15H,3H2,1-2H3
InChIKey QWBSIYICLWCIDS-UHFFFAOYSA-N
Mol Weight 258.66 g/mol
Molecular Formula C11H11ClO5
Exact Mass 258.029501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RiSP0V8bjM
Name Ethyl chlorohaematommate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11ClO5
InChI InChI=1S/C11H11ClO5/c1-3-17-11(16)7-5(2)8(12)10(15)6(4-13)9(7)14/h4,14-15H,3H2,1-2H3
InChIKey QWBSIYICLWCIDS-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C and Agilent-7693
Ionization Type EI
Literature Reference DOI 10.1002/ffj.3578
Molecular Weight 258.657 g/mol
SMILES Oc1c(c(c(c(c1Cl)C)C(=O)OCC)O)C=O
SPLASH splash10-001r-5930000000-924b5eb87f601ec29924
Source of Spectrum 10.1002/ffj.3578
Wiley ID 1856252