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(6aS)-(+)-1-Methoxy-3-(1,1-dimethylheptyl)-6,6a,7,8-tetrahydro-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one
SpectraBase Compound ID J8puM2MYWC9
InChI InChI=1S/C25H36O3/c1-7-8-9-10-13-24(2,3)17-14-21(27-6)23-19-16-18(26)11-12-20(19)25(4,5)28-22(23)15-17/h14-16,20H,7-13H2,1-6H3/t20-/m0/s1
InChIKey NQXKPBKNCPZJQR-FQEVSTJZSA-N
Mol Weight 384.6 g/mol
Molecular Formula C25H36O3
Exact Mass 384.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9WywB94VDze
Name (6aS)-(+)-1-Methoxy-3-(1,1-dimethylheptyl)-6,6a,7,8-tetrahydro-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one
Alternate Name(s) (6aS)-3-(1,1-dimethylheptyl)-1-methoxy-6,6-dimethyl-6,6a,7,8-tetrahydro-9H-benzo[c]chromen-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O3
InChI InChI=1S/C25H36O3/c1-7-8-9-10-13-24(2,3)17-14-21(27-6)23-19-16-18(26)11-12-20(19)25(4,5)28-22(23)15-17/h14-16,20H,7-13H2,1-6H3/t20-/m0/s1
InChIKey NQXKPBKNCPZJQR-FQEVSTJZSA-N
Molecular Weight 384.560 g/mol
SMILES C1=2c3c(cc(cc3OC)C(CCCCCC)(C)C)OC([C@]1(CCC(C2)=O)[H])(C)C
SPLASH splash10-0ue9-0009000000-aba50a87eb36d9c06440
Source of Spectrum J-56-2085-20
Wiley ID 1361864