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N-[(1R,2R,4S)-2-(6-chloro-3-pyridinyl)-4-hydroxycyclohexyl]carbamic acid tert-butyl ester
SpectraBase Compound ID D7uEvFWymqg
InChI InChI=1S/C16H23ClN2O3/c1-16(2,3)22-15(21)19-13-6-5-11(20)8-12(13)10-4-7-14(17)18-9-10/h4,7,9,11-13,20H,5-6,8H2,1-3H3,(H,19,21)/t11-,12+,13+/m0/s1
InChIKey UAJVAUKHYOIPQR-YNEHKIRRSA-N
Mol Weight 326.82 g/mol
Molecular Formula C16H23ClN2O3
Exact Mass 326.13972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVIW189vtqt
Name N-[(1R,2R,4S)-2-(6-chloro-3-pyridinyl)-4-hydroxycyclohexyl]carbamic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23ClN2O3
InChI InChI=1S/C16H23ClN2O3/c1-16(2,3)22-15(21)19-13-6-5-11(20)8-12(13)10-4-7-14(17)18-9-10/h4,7,9,11-13,20H,5-6,8H2,1-3H3,(H,19,21)/t11-,12+,13+/m0/s1
InChIKey UAJVAUKHYOIPQR-YNEHKIRRSA-N
Molecular Weight 326.824 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@]1(CC[C@@](C[C@@]1(c1cnc(cc1)Cl)[H])(O)[H])[H]
SPLASH splash10-0abc-4910000000-179ab95869c3588ebfee
Source of Spectrum J-63-8406-29
Synonyms N-[(1R,2R,4S)-2-(6-chloro-3-pyridyl)-4-hydroxy-cyclohexyl]carbamic acid tert-butyl ester tert-Butyl N-[(1R,2R,4S)-2-(6-chloranylpyridin-3-yl)-4-oxidanyl-cyclohexyl]carbamate tert-Butyl N-[(1R,2R,4S)-2-(6-chloro-3-pyridyl)-4-hydroxy-cyclohexyl]carbamate tert-Butyl N-[(1R,2R,4S)-2-(6-chloropyridin-3-yl)-4-hydroxycyclohexyl]carbamate
Wiley ID 1324595