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5-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]tetralin-1-one
SpectraBase Compound ID Ir3aTHH5x0j
InChI InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1
InChIKey IXHBTMCLRNMKHZ-LBPRGKRZSA-N
Mol Weight 291.39 g/mol
Molecular Formula C17H25NO3
Exact Mass 291.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqfHxlRKrHh
Name 5-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]tetralin-1-one
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Formula C17H25NO3
InChI InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1
InChIKey IXHBTMCLRNMKHZ-LBPRGKRZSA-N
Molecular Weight 291.391 g/mol
SMILES N(C[C@@](COc1cccc2c1CCCC2=O)(O)[H])C(C)(C)C
SPLASH splash10-000i-9580000000-0ee23baeed6481dd7d01
Synonyms 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one 5-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-3,4-dihydro-2H-naphthalen-1-one
Wiley ID 1508000