Spectrum CCMSLIB00000849193 for NCGC00017337-18_C18H27NO3_6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6E)-

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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
25775-90-0
n/a
InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
C18H27NO3
305.199093724
OC1=CC=C(C=C1OC)CN=C(O)CCCCC=CC(C)C
YKPUWZUDDOIDPM-SOFGYWHQSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
305.199
1
positive
A3_GA3_01_8053.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.333773503335084
0.8142386290824933
328.188
[M+Na]+
2.631796409543613 ppm
-8.637240000552993E-4 Da