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4H-1,3-BENZODIOXIN-4-ONE, 2-(1,1-DIMETHYLETHYL)HEXAHYDRO-, [2S-(2alpha,4Abeta,8Abeta)]-
SpectraBase Compound ID 321RQJQ92CC
InChI InChI=1S/C8H12O3.C4H10/c9-8-6-3-1-2-4-7(6)10-5-11-8;1-4(2)3/h6-7H,1-5H2;4H,1-3H3
InChIKey XPBJKVHCVVJSJG-UHFFFAOYSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFsACWyCOBE
Name 4H-1,3-BENZODIOXIN-4-ONE, 2-(1,1-DIMETHYLETHYL)HEXAHYDRO-, [2S-(2alpha,4Abeta,8Abeta)]-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C8H12O3.C4H10/c9-8-6-3-1-2-4-7(6)10-5-11-8;1-4(2)3/h6-7H,1-5H2;4H,1-3H3
InChIKey XPBJKVHCVVJSJG-UHFFFAOYSA-N
Molecular Weight 214.1563
SMILES CC(C)C.C1CC2OCOC(=O)C2CC1
SPLASH splash10-053r-9200000000-64297074996f44a25d0b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany