Spectrum CCMSLIB00004751446 for "2,5-Dichlor-1,3,6-tri-O-methylnorlichexanthone"

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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
C17H14Cl2O5
368.021828908
O=C1C=2C(OC=3C(Cl)=C(OC)C=C(C13)C)=CC(OC)=C(Cl)C2OC
InChI=1S/C17H14Cl2O5/c1-7-5-9(21-2)14(19)17-11(7)15(20)12-8(24-17)6-10(22-3)13(18)16(12)23-4/h5-6H,1-4H3
QCVBBEYCXWJERE-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
368.022
1
POS_032_2_5_Dichlor_1_3_6_tri_O_methylnorlichexanthon.mzXML
MS2
LDB_POSITIVE
Joel BOUSTIE Pierre LE POGAM, Damien OLIVIER, dolivierj
positive
1.0304751262590564
0.13842567259339533
369.031
[M+H]+
3.2547184383716066 ppm
0.0012010920000307124 Da