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4H-1,3-BENZODIOXIN-4-ONE, 2-(1,1-DIMETHYLETHYL)-6,7,8,8A-TETRAHYDRO-5-METHYL-, (2S-trans)-
SpectraBase Compound ID QSMjJugEyt
InChI InChI=1S/C9H12O3.C4H10/c1-6-3-2-4-7-8(6)9(10)12-5-11-7;1-4(2)3/h7H,2-5H2,1H3;4H,1-3H3
InChIKey NYBHELYXJCPFAH-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkPbPizxZlj
Name 4H-1,3-BENZODIOXIN-4-ONE, 2-(1,1-DIMETHYLETHYL)-6,7,8,8A-TETRAHYDRO-5-METHYL-, (2S-trans)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C9H12O3.C4H10/c1-6-3-2-4-7-8(6)9(10)12-5-11-7;1-4(2)3/h7H,2-5H2,1H3;4H,1-3H3
InChIKey NYBHELYXJCPFAH-UHFFFAOYSA-N
Molecular Weight 226.1563
SMILES C(C)(C)C.C1(=O)C=2C(CCCC2C)OCO1
SPLASH splash10-00y0-5900000000-62b12ef3c4d76eb5cc08
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany