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(2R,4aR,7aS)-2-(3-chlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
SpectraBase Compound ID A1QHEAcIUj2
InChI InChI=1S/C13H14ClNO2/c14-9-4-1-3-8(7-9)13-15-12(16)10-5-2-6-11(10)17-13/h1,3-4,7,10-11,13H,2,5-6H2,(H,15,16)/t10-,11+,13-/m1/s1
InChIKey IMMZTWKOYKRANR-NTZNESFSSA-N
Mol Weight 251.71 g/mol
Molecular Formula C13H14ClNO2
Exact Mass 251.071306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1RUNXLMnCl
Name (2R,4aR,7aS)-2-(3-chlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
CAS Registry Number 98920-98-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14ClNO2
InChI InChI=1S/C13H14ClNO2/c14-9-4-1-3-8(7-9)13-15-12(16)10-5-2-6-11(10)17-13/h1,3-4,7,10-11,13H,2,5-6H2,(H,15,16)/t10-,11+,13-/m1/s1
InChIKey IMMZTWKOYKRANR-NTZNESFSSA-N
Molecular Weight 251.713 g/mol
SMILES N1[C@](O[C@]2(CCC[C@]2(C1=O)[H])[H])(c1cc(Cl)ccc1)[H]
SPLASH splash10-014l-9520000000-09a858bc0f83afd5cb10
Source of Spectrum Y-22-525-0
Wiley ID 1254434