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NEOGRIFOLIN
SpectraBase Compound ID 91kvhHmSmnD
InChI InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)14-20(23)15-22(21)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+
InChIKey JWDIUXFSIWOGDP-VZRGJMDUSA-N
Mol Weight 328.5 g/mol
Molecular Formula C22H32O2
Exact Mass 328.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPlMdI0Bh5Q
Name 5-Methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,3-diol
CAS Registry Number 23665-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O2
InChI InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)14-20(23)15-22(21)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+
InChIKey JWDIUXFSIWOGDP-VZRGJMDUSA-N
Molecular Weight 328.496 g/mol
SMILES Oc1cc(c(c(c1)O)C\C=C\(CC\C=C\(CCC=C(C)C)C)C)C
SPLASH splash10-002r-0901000000-af1205d9404c0141932d
Source of Spectrum K-110-3775-0
Synonyms 5-Methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]resorcinol
Wiley ID 1326786