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1,3-diphenyl[4,5,6,7,8,9,10,11-(2)H(8)]cyclopenta[l]phenanthren-2-one
SpectraBase Compound ID EwDTTyFmBS7
InChI InChI=1S/C29H18O/c30-29-25(19-11-3-1-4-12-19)27-23-17-9-7-15-21(23)22-16-8-10-18-24(22)28(27)26(29)20-13-5-2-6-14-20/h1-18H/i7D,8D,9D,10D,15D,16D,17D,18D
InChIKey MNSDGJFEKUKHGO-XJQREANESA-N
Mol Weight 390.51 g/mol
Molecular Formula C29H102D8O
Exact Mass 390.185979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5u0BCzR8Y8
Name 1,3-diphenyl[4,5,6,7,8,9,10,11-(2)H(8)]cyclopenta[l]phenanthren-2-one
CAS Registry Number 113474-60-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H10D8O
InChI InChI=1S/C29H18O/c30-29-25(19-11-3-1-4-12-19)27-23-17-9-7-15-21(23)22-16-8-10-18-24(22)28(27)26(29)20-13-5-2-6-14-20/h1-18H/i7D,8D,9D,10D,15D,16D,17D,18D
InChIKey MNSDGJFEKUKHGO-XJQREANESA-N
Molecular Weight 390.511 g/mol
SMILES C=12C(=C(c3ccccc3)C(C1c1ccccc1)=O)c1c(c([2D])c(c(c1-c1c2c(c(c([2D])c1[2D])[2D])[2D])[2D])[2D])[2D]
SPLASH splash10-01ox-0009000000-5e41412c5ad2dc354ef3
Source of Spectrum J-53-1688-7
Wiley ID 1360924