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2-[(5R,6R,7R,8S)-8-methyl-9-oxo-6-propyl-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
SpectraBase Compound ID 97MS18o8mrJ
InChI InChI=1S/C17H20O3/c1-3-6-13-14(9-10-18)17(2)16(19)12-8-5-4-7-11(12)15(13)20-17/h4-5,7-8,10,13-15H,3,6,9H2,1-2H3/t13-,14-,15-,17-/m1/s1
InChIKey NBIFLVMJYNZTQN-KCYZZUKISA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZMgnFIqqKj
Name 2-[(5R,6R,7R,8S)-8-methyl-9-oxo-6-propyl-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
Alternate Name(s) 2-((5S,6R,7R,8R)-8-methyl-9-oxo-6-propyl-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl)acetaldehyde
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Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-3-6-13-14(9-10-18)17(2)16(19)12-8-5-4-7-11(12)15(13)20-17/h4-5,7-8,10,13-15H,3,6,9H2,1-2H3/t13-,14-,15-,17-/m1/s1
InChIKey NBIFLVMJYNZTQN-KCYZZUKISA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 272.344 g/mol
SMILES [C@]1([C@]2(c3ccccc3C(=O)[C@@]([C@@]1(CC=O)[H])(O2)C)[H])(CCC)[H]
SPLASH splash10-03xs-1900000000-03836a4becd2c69bb8ca
Source of Spectrum ACI-54-3043/SM24-4s
Wiley ID 1760444