For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4iVelpbYDwd
Name Ethyl Chlorohematommate
Alternate Name(s) 5-Chloro-3-formyl-2,4-dihydroxy-6-methylbenzoic acid ethyl ester Ethyl 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate Ethyl 5-chloro-3-formyl-2,4-dihydroxy-6-methyl-benzoate Ethyl 3-chloranyl-5-methanoyl-2-methyl-4,6-bis(oxidanyl)benzoate
CAS Registry Number 57857-81-5
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
Molecular Weight 258.657 g/mol
SMILES Oc1c(c(c(c(c1Cl)C)C(=O)OCC)O)C=O
SPLASH splash10-001i-0940000000-708e6def8a876dd921c4
Source of Spectrum E1-39-1043-7
Wiley ID 1518796