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Naphtho[2,1-e]-1,2,4-trioxin-3-methanol, 4a,10b-dihydro-6,10b-dimethyl-, (3.alpha.,4a.alpha.,10b.alpha.)-(.+-.)-
SpectraBase Compound ID DCwlXAzotAk
InChI InChI=1S/C14H16O4/c1-9-7-12-14(2,18-17-13(8-15)16-12)11-6-4-3-5-10(9)11/h3-7,12-13,15H,8H2,1-2H3/t12-,13+,14+/m1/s1
InChIKey GAXJYFWFNAUDML-RDBSUJKOSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15Z0ED0kBAW
Name Naphtho[2,1-e]-1,2,4-trioxin-3-methanol, 4a,10b-dihydro-6,10b-dimethyl-, (3.alpha.,4a.alpha.,10b.alpha.)-(.+-.)-
CAS Registry Number 122346-64-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-9-7-12-14(2,18-17-13(8-15)16-12)11-6-4-3-5-10(9)11/h3-7,12-13,15H,8H2,1-2H3/t12-,13+,14+/m1/s1
InChIKey GAXJYFWFNAUDML-RDBSUJKOSA-N
Molecular Weight 248.278 g/mol
SMILES OC[C@@]1(OO[C@@]2([C@@](C=C(c3c2cccc3)C)(O1)[H])C)[H]
SPLASH splash10-0a4i-0900000000-7eaad3e83f2651588e23
Source of Spectrum H-71-1809-10
Synonyms (3RS,4aRS,10bSR)-4a,10b-dihydro-6,10b-dimethylnaphtho-[2,1-e][1,2,4]trioxine-3-methanol [(3S,4aR,10bS)-6,10b-dimethyl-4a,10b-dihydronaphtho[2,1-e][1,2,4]trioxin-3-yl]methanol
Wiley ID 1251067