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(3R,4S)-2,2-Dimethyl-6-nitro-4-((R)-1-phenylethylamino)chroman-3-ol
SpectraBase Compound ID DP9yawXHFuK
InChI InChI=1S/C19H22N2O4/c1-12(13-7-5-4-6-8-13)20-17-15-11-14(21(23)24)9-10-16(15)25-19(2,3)18(17)22/h4-12,17-18,20,22H,1-3H3/t12-,17+,18-/m1/s1
InChIKey JENVRVUFSGCUQJ-OCBCSQNSSA-N
Mol Weight 342.4 g/mol
Molecular Formula C19H22N2O4
Exact Mass 342.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bdvESLL3qe
Name (3R,4S)-2,2-Dimethyl-6-nitro-4-((R)-1-phenylethylamino)chroman-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O4
InChI InChI=1S/C19H22N2O4/c1-12(13-7-5-4-6-8-13)20-17-15-11-14(21(23)24)9-10-16(15)25-19(2,3)18(17)22/h4-12,17-18,20,22H,1-3H3/t12-,17+,18-/m1/s1
InChIKey JENVRVUFSGCUQJ-OCBCSQNSSA-N
Molecular Weight 342.395 g/mol
SMILES O[C@]1(C(Oc2c([C@@]1(N[C@@](c1ccccc1)(C)[H])[H])cc(cc2)N(=O)=O)(C)C)[H]
SPLASH splash10-0ab9-1940000000-4ccea576bc5b090f7cc0
Source of Spectrum QC-23-1037-8j
Synonyms (3R,4S)-2,2-dimethyl-6-nitro-4-(((R)-1-phenylethyl)amino)chroman-3-ol
Wiley ID 1738817