Spectrum CCMSLIB00000847249 for NCGC00380767-01!1,2,3-trimethoxy-5-[2-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzene

Rating: (*)★(*)★(*)★(*)★(*)☆

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
n/a
n/a
InChI=1S/C22H28O5/c1-7-8-16-9-10-18(19(12-16)23-3)27-15(2)11-17-13-20(24-4)22(26-6)21(14-17)25-5/h7,9-10,12-15H,1,8,11H2,2-6H3
C22H28O5
372.193673996
O(C1=CC(=CC=C1OC(C)CC2=CC(OC)=C(OC)C(OC)=C2)CC=C)C
KKYNVNUZEODDKF-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
372.194
1
positive
C7_GC7_01_2619.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.087583577453384
0.5933089181304929
390.228
[M+NH4]+
10.901308978311517 ppm
-0.004253995999988547 Da