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(6aS,10aS)-6a-Acetyl-9-methyl-6a,7,10,10a-tetrahydro-benzo[c]chromen-6-one
SpectraBase Compound ID 2I63JGUBQSQ
InChI InChI=1S/C16H16O3/c1-10-7-8-16(11(2)17)13(9-10)12-5-3-4-6-14(12)19-15(16)18/h3-7,13H,8-9H2,1-2H3/t13-,16+/m0/s1
InChIKey IYXAIIBXATXPNK-XJKSGUPXSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OrI8lnfm3r
Name (6aS,10aS)-6a-Acetyl-9-methyl-6a,7,10,10a-tetrahydro-benzo[c]chromen-6-one
Alternate Name(s) (6aSR,10aSR)-6a-Acetyl-9-methyl-6a,7,10,10a-tetrahydro-6H-benzo-[c]chromen-6-one (6aS,10aS)-6a-acetyl-9-methyl-10,10a-dihydro-7H-benzo[c][1]benzopyran-6-one (6aS,10aS)-6a-ethanoyl-9-methyl-10,10a-dihydro-7H-benzo[c]chromen-6-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-10-7-8-16(11(2)17)13(9-10)12-5-3-4-6-14(12)19-15(16)18/h3-7,13H,8-9H2,1-2H3/t13-,16+/m0/s1
InChIKey IYXAIIBXATXPNK-XJKSGUPXSA-N
Molecular Weight 256.301 g/mol
SMILES [C@@]12(C(Oc3ccccc3[C@@]2(CC(=CC1)C)[H])=O)C(=O)C
SPLASH splash10-03di-0090000000-88566f4c22ea54d44792
Source of Spectrum U1-2011-2882-8a
Wiley ID 1665391