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Naphtho[2,1-e]-1,2,4-trioxin-6(5H)-one, 3-(1,1-dimethylethyl)-4a,10b-dihydro-10,10b-dimethyl-, (3.alpha.,4a.beta.,10b.beta.)-
SpectraBase Compound ID 9MQs71QIY8v
InChI InChI=1S/C17H22O4/c1-10-7-6-8-11-12(18)9-13-17(5,14(10)11)21-20-15(19-13)16(2,3)4/h6-8,13,15H,9H2,1-5H3/t13-,15-,17-/m0/s1
InChIKey ZUMWATINSCYJFI-QRTARXTBSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2T7A3DlZxPT
Name Naphtho[2,1-e]-1,2,4-trioxin-6(5H)-one, 3-(1,1-dimethylethyl)-4a,10b-dihydro-10,10b-dimethyl-, (3.alpha.,4a.beta.,10b.beta.)-
Alternate Name(s) (3S,4aS,10bR)-3-tert-butyl-10,10b-dimethyl-4a,10b-dihydronaphtho[2,1-e][1,2,4]trioxin-6(5H)-one cis-3-(tert-butyl)-4a,7a-dihydronaphtho[2,1-e][1,2,4]trioxine-6(5H)-one
CAS Registry Number 95933-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-10-7-6-8-11-12(18)9-13-17(5,14(10)11)21-20-15(19-13)16(2,3)4/h6-8,13,15H,9H2,1-5H3/t13-,15-,17-/m0/s1
InChIKey ZUMWATINSCYJFI-QRTARXTBSA-N
Molecular Weight 290.359 g/mol
SMILES [C@@]12([C@@](O[C@@](OO2)(C(C)(C)C)[H])(CC(c2c1c(ccc2)C)=O)[H])C
SPLASH splash10-03k9-0900000000-3a3b985e4dcdc5899eef
Source of Spectrum H-67-2257-0
Wiley ID 1293707