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1H,4H-Azulen-3a,8a-imin-4-one, 9-(4-bromophenyl)hexahydro-
SpectraBase Compound ID 7Pnj26cXavO
InChI InChI=1S/C16H18BrNO/c17-12-5-7-13(8-6-12)18-15-9-2-1-4-14(19)16(15,18)11-3-10-15/h5-8H,1-4,9-11H2/t15-,16-,18?/m0/s1
InChIKey WUPMQDXMRDEZSM-MZQXSQAVSA-N
Mol Weight 320.23 g/mol
Molecular Formula C16H18BrNO
Exact Mass 319.057177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmfNKBp04Bb
Name 1H,4H-Azulen-3a,8a-imin-4-one, 9-(4-bromophenyl)hexahydro-
CAS Registry Number 110654-35-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18BrNO
InChI InChI=1S/C16H18BrNO/c17-12-5-7-13(8-6-12)18-15-9-2-1-4-14(19)16(15,18)11-3-10-15/h5-8H,1-4,9-11H2/t15-,16-,18?/m0/s1
InChIKey WUPMQDXMRDEZSM-MZQXSQAVSA-N
Molecular Weight 320.230 g/mol
SMILES [C@@]123N([C@@]2(CCCCC3=O)CCC1)c1ccc(cc1)Br
SPLASH splash10-0rk9-0390000000-475dc88196db91d9d74e
Source of Spectrum Y-23-1683-0
Synonyms 11-(4-bromophenyl)-11-azatricyclo[5.3.1.0(1,7)]undecan-2-one 11-(4-Bromophenyl)-11-aza[5.3.3]propellan-2-one
Wiley ID 1319280