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3-Heptyl-5-methyl-isochroman-6,8-diol

View entire compound with spectra: 1 MS (GC)

3-Heptyl-5-methyl-isochroman-6,8-diol
SpectraBase Compound ID LGTtSY9Rs1p
InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-13-9-14-12(2)16(18)10-17(19)15(14)11-20-13/h10,13,18-19H,3-9,11H2,1-2H3
InChIKey CHHKGJIZUJUBDN-UHFFFAOYSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FAUlf4UqoH
Name 3-Heptyl-5-methyl-isochroman-6,8-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-3-4-5-6-7-8-13-9-14-12(2)16(18)10-17(19)15(14)11-20-13/h10,13,18-19H,3-9,11H2,1-2H3
InChIKey CHHKGJIZUJUBDN-UHFFFAOYSA-N
Molecular Weight 278.392 g/mol
SMILES Oc1c2c(c(c(c1)O)C)CC(OC2)CCCCCCC
SPLASH splash10-002o-9000000000-de2f44b575caddd1861d
Source of Spectrum U1-2009-1431-2a
Synonyms Pseudoanguillosporin A
Wiley ID 1662673