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1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl]ethanone

View entire compound with spectra: 1 MS (GC)

1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl]ethanone
SpectraBase Compound ID ALzBIbqqVFF
InChI InChI=1S/C13H17NO3/c1-7(15)8-4-5-10-9(6-8)11(14)12(16)13(2,3)17-10/h4-6,11-12,16H,14H2,1-3H3/t11-,12+/m0/s1
InChIKey AECGYOKFJFSDKI-NWDGAFQWSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSdX9ecpGiF
Name 1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-7(15)8-4-5-10-9(6-8)11(14)12(16)13(2,3)17-10/h4-6,11-12,16H,14H2,1-3H3/t11-,12+/m0/s1
InChIKey AECGYOKFJFSDKI-NWDGAFQWSA-N
Molecular Weight 235.283 g/mol
SMILES O[C@]1(C(Oc2c([C@@]1(N)[H])cc(cc2)C(=O)C)(C)C)[H]
SPLASH splash10-03dm-5900000000-1a2d998ef6c85b53e703
Source of Spectrum O-20-441-4
Synonyms 1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]ethanone 1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-chroman-6-yl]ethanone 1-[(3R,4S)-4-azanyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-6-yl]ethanone
Wiley ID 1237131