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1,4-Di(butan-2-yl)-5,6,7,8-tetrahydro-2-benzopyran-3-one
SpectraBase Compound ID Hepwi8pciOe
InChI InChI=1S/C17H26O2/c1-5-11(3)15-13-9-7-8-10-14(13)16(12(4)6-2)19-17(15)18/h11-12H,5-10H2,1-4H3
InChIKey KHRHFIDITICFCN-UHFFFAOYSA-N
Mol Weight 262.39 g/mol
Molecular Formula C17H26O2
Exact Mass 262.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJjlFPDCFcV
Name 1,4-Di(butan-2-yl)-5,6,7,8-tetrahydro-2-benzopyran-3-one
CAS Registry Number 114764-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O2
InChI InChI=1S/C17H26O2/c1-5-11(3)15-13-9-7-8-10-14(13)16(12(4)6-2)19-17(15)18/h11-12H,5-10H2,1-4H3
InChIKey KHRHFIDITICFCN-UHFFFAOYSA-N
Molecular Weight 262.393 g/mol
SMILES C1=2C(=C(C(CC)C)OC(C2C(CC)C)=O)CCCC1
SPLASH splash10-0a59-0090000000-e6b1a13ddf5044b9f934
Source of Spectrum J-53-3144-2
Synonyms 1,4-Di(butan-2-yl)-5,6,7,8-tetrahydroisochromen-3-one 1,4-Disec-butyl-5,6,7,8-tetrahydroisochromen-3-one
Wiley ID 1266323