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3a-(4-chlorophenyl)-3,5,5a,6,9,9a-hexahydro-2H-pyrrolo[1,2-a][3,1]benzoxazin-1-one
SpectraBase Compound ID 45Om4So8lTg
InChI InChI=1S/C17H18ClNO2/c18-14-7-5-13(6-8-14)17-10-9-16(20)19(17)15-4-2-1-3-12(15)11-21-17/h1-2,5-8,12,15H,3-4,9-11H2/t12-,15+,17-/m1/s1
InChIKey SCTNNTMNMQFXDV-ISTRZQFTSA-N
Mol Weight 303.79 g/mol
Molecular Formula C17H18ClNO2
Exact Mass 303.102607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hf05RBj4zW1
Name 3a-(4-chlorophenyl)-3,5,5a,6,9,9a-hexahydro-2H-pyrrolo[1,2-a][3,1]benzoxazin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18ClNO2
InChI InChI=1S/C17H18ClNO2/c18-14-7-5-13(6-8-14)17-10-9-16(20)19(17)15-4-2-1-3-12(15)11-21-17/h1-2,5-8,12,15H,3-4,9-11H2/t12-,15+,17-/m1/s1
InChIKey SCTNNTMNMQFXDV-ISTRZQFTSA-N
Instrument Name VG 7070E
Ionization Type EI
Literature Reference DOI 10.1016/S1044-0305(99)00011-2
Molecular Weight 303.789 g/mol
SMILES [C@]12(CO[C@@]3(N(C(CC3)=O)[C@]1(CC=CC2)[H])c1ccc(cc1)Cl)[H]
SPLASH splash10-0fdy-5951000000-d7f444df395427beb4ed
Source of Spectrum A7-10-396-cis 2a
Wiley ID 1843742