Spectrum VF-NPL-QTOF007264 for DAH-3-Keto-4-en

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
UDNMYDZHPMNIEQ-RIYZIHGNSA-N
C19H20O
264.15141526
O=C(C=CCCC=1C=CC=CC1)CCC=2C=CC=CC2
InChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,8-12,14H,7,13,15-16H2/b14-8+

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
10 V
MX_C2_356
6.03 minutes
1.6552424860163113
0.5726745985163945
265.1584
[M+H]+
3.715741232598884 ppm
-9.852600000499478E-4 Da