Spectrum VF-NPL-LTQ005144 for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-(2-phenylethyl)phenol

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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
InChI=1S/C25H32O2/c1-19(2)9-8-10-20(3)13-16-23-24(26)17-22(18-25(23)27-4)15-14-21-11-6-5-7-12-21/h5-7,9,11-13,17-18,26H,8,10,14-16H2,1-4H3/b20-13+
C25H32O2
364.240230264
OC=1C=C(C=C(OC)C1CC=C(C)CCC=C(C)C)CCC=2C=CC=CC2
ZDSBUUDXDQSCSK-DEDYPNTBSA-N

Mass Spectral Metadata

NameValue
35
MX_UC_1910_p24_F10_POS_iTREE_02.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.255169671051585
0.779880765424046
381.8166665469899
M+NH4
1210.3812051725772 ppm
-0.4621437170101217 Da