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3H-Benzo[b]cyclobuta[d]pyran-3-one, 1,2,2a,8b-tetrahydro-8b-hydroxy-1,1,2-trimethyl-, (2.alpha.,2a.beta.,8b.beta.)-(.+-.)-
SpectraBase Compound ID Hq84tIP7zH1
InChI InChI=1S/C14H16O3/c1-8-11-12(15)17-10-7-5-4-6-9(10)14(11,16)13(8,2)3/h4-8,11,16H,1-3H3/t8-,11-,14-/m1/s1
InChIKey FGCZUQUVZAKIJS-XPLICSAQSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43SKFcIr02H
Name 3H-Benzo[b]cyclobuta[d]pyran-3-one, 1,2,2a,8b-tetrahydro-8b-hydroxy-1,1,2-trimethyl-, (2.alpha.,2a.beta.,8b.beta.)-(.+-.)-
CAS Registry Number 116864-05-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-8-11-12(15)17-10-7-5-4-6-9(10)14(11,16)13(8,2)3/h4-8,11,16H,1-3H3/t8-,11-,14-/m1/s1
InChIKey FGCZUQUVZAKIJS-XPLICSAQSA-N
Molecular Weight 232.279 g/mol
SMILES O[C@]12[C@](C(=O)Oc3c2cccc3)([H])[C@](C1(C)C)(C)[H]
SPLASH splash10-03di-0900000000-2f20ed8d0a5c14c3bf58
Source of Spectrum J-53-5958-19
Synonyms (2R,2aS,8bR)-8b-hydroxy-1,1,2-trimethyl-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one
Wiley ID 1233966