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(+-)-trans-5-Amino-2-hydroxy-6-nitro-3-(4-phenylpiperidino)tetralin [(+-)-5-amino-6-nitrobenzovesamicol]
SpectraBase Compound ID LDWUEGhR6Bj
InChI InChI=1S/C21H25N3O3/c22-21-17-13-19(20(25)12-16(17)6-7-18(21)24(26)27)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,15,19-20,25H,8-13,22H2/t19-,20-/m1/s1
InChIKey KXSQMNRCKNAKLG-WOJBJXKFSA-N
Mol Weight 367.45 g/mol
Molecular Formula C21H25N3O3
Exact Mass 367.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9y3jRp0TsgR
Name (+-)-trans-5-Amino-2-hydroxy-6-nitro-3-(4-phenylpiperidino)tetralin [(+-)-5-amino-6-nitrobenzovesamicol]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O3
InChI InChI=1S/C21H25N3O3/c22-21-17-13-19(20(25)12-16(17)6-7-18(21)24(26)27)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,15,19-20,25H,8-13,22H2/t19-,20-/m1/s1
InChIKey KXSQMNRCKNAKLG-WOJBJXKFSA-N
Molecular Weight 367.449 g/mol
SMILES O[C@]1([C@@](Cc2c(c(ccc2C1)N(=O)=O)N)(N1CCC(CC1)c1ccccc1)[H])[H]
SPLASH splash10-0006-7901000000-d5a35d59eb29638f1368
Source of Spectrum E1-39-3338-7
Synonyms (2R,3R)-5-amino-6-nitro-3-(4-phenyl-1-piperidinyl)-1,2,3,4-tetrahydronaphthalen-2-ol (2R,3R)-5-amino-6-nitro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (2R,3R)-5-amino-6-nitro-3-(4-phenyl-1-piperidyl)tetralin-2-ol (2R,3R)-5-azanyl-6-nitro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
Wiley ID 1598922