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(1S,2S,4aR,8aS)-1-(4-nitro-phenyl)-6-oxo-1,2,3,4,4a,5,6,8a-octahydro-naphthalene-2-carbaldehyde
SpectraBase Compound ID NPgV80CYiO
InChI InChI=1S/C17H17NO4/c19-10-13-2-1-12-9-15(20)7-8-16(12)17(13)11-3-5-14(6-4-11)18(21)22/h3-8,10,12-13,16-17H,1-2,9H2/t12-,13-,16-,17-/m1/s1
InChIKey IOCMLUINDQUYQE-BQGCOEIASA-N
Mol Weight 299.33 g/mol
Molecular Formula C17H17NO4
Exact Mass 299.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyZhUSV8OcC
Name (1S,2S,4aR,8aS)-1-(4-nitro-phenyl)-6-oxo-1,2,3,4,4a,5,6,8a-octahydro-naphthalene-2-carbaldehyde
Alternate Name(s) 1,2,3,4,4a,5,6,8a-Octahydro-6-oxo-1-(p-nitrophenyl)-naphthalene-2-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO4
InChI InChI=1S/C17H17NO4/c19-10-13-2-1-12-9-15(20)7-8-16(12)17(13)11-3-5-14(6-4-11)18(21)22/h3-8,10,12-13,16-17H,1-2,9H2/t12-,13-,16-,17-/m1/s1
InChIKey IOCMLUINDQUYQE-BQGCOEIASA-N
Molecular Weight 299.326 g/mol
SMILES c1(N(=O)=O)ccc([C@]2([C@@]3(C=CC(=O)C[C@]3(CC[C@@]2(C=O)[H])[H])[H])[H])cc1
SPLASH splash10-0fba-5691000000-0a208a62f6c58b7946d0
Source of Spectrum F5-7-3098-5b
Wiley ID 1696660