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1-HEXEN-4-OL, 5-[(tert-BUTYLOXYCARBONYL)AMINO]-6-PHENYL- (Isomer 1)
SpectraBase Compound ID HDpDtJnUqvI
InChI InChI=1S/C17H25NO3/c1-5-9-15(19)14(12-13-10-7-6-8-11-13)18-16(20)21-17(2,3)4/h5-8,10-11,14-15,19H,1,9,12H2,2-4H3,(H,18,20)
InChIKey MXAGNPTVINGWST-UHFFFAOYSA-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 6LLTb6xQ901
Name 1-HEXEN-4-OL, 5-[(tert-BUTYLOXYCARBONYL)AMINO]-6-PHENYL- (Isomer 2)
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Formula C17H25NO3
InChI InChI=1S/C17H25NO3/c1-5-9-15(19)14(12-13-10-7-6-8-11-13)18-16(20)21-17(2,3)4/h5-8,10-11,14-15,19H,1,9,12H2,2-4H3,(H,18,20)
InChIKey MXAGNPTVINGWST-UHFFFAOYSA-N
Instrument Name 8230
Molecular Weight 291.1828
SMILES N(C(C(O)CC=C)Cc1ccccc1)C(=O)OC(C)(C)C
SPLASH splash10-052f-9700000000-9c984416e298d53e87b7
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany