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(3aR,7aS)-tert-Butyl 3-benzylhexahydrofuro[2,3-b]pyridine-7(7aH)-carboxylate
SpectraBase Compound ID 3DyC9KBGlmA
InChI InChI=1S/C19H27NO3/c1-19(2,3)23-18(21)20-11-7-10-16-15(13-22-17(16)20)12-14-8-5-4-6-9-14/h4-6,8-9,15-17H,7,10-13H2,1-3H3/t15?,16-,17+/m1/s1
InChIKey APJQZBJOWABLAV-FGJGXXMFSA-N
Mol Weight 317.43 g/mol
Molecular Formula C19H27NO3
Exact Mass 317.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpF0mZfL7z3
Name (3aR,7aS)-tert-Butyl 3-benzylhexahydrofuro[2,3-b]pyridine-7(7aH)-carboxylate
Appearance Colorless oil
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Exact Mass 317.199093730 u
Formula C19H27NO3
InChI InChI=1S/C19H27NO3/c1-19(2,3)23-18(21)20-11-7-10-16-15(13-22-17(16)20)12-14-8-5-4-6-9-14/h4-6,8-9,15-17H,7,10-13H2,1-3H3/t15?,16-,17+/m1/s1
InChIKey APJQZBJOWABLAV-FGJGXXMFSA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501543
Molecular Weight 317.429 g/mol
Quality 204
Reported Formula C19H27NO3
SMILES C1C[C@]2([C@@](N(C1)C(=O)OC(C)(C)C)(OCC2CC1=CC=CC=C1)[H])[H]
SPLASH splash10-0a4l-9210000000-cfbe31d7a33fc0cbcf68
Sample Comments dr = 80:20
Source of Spectrum QE-21-SM27-13a (DOI: 10.1002/chem.201501543)
Wiley ID 1909188