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1,2,3,3a-tetrahydro-bbf

View entire compound with spectra: 1 MS (GC)

1,2,3,3a-tetrahydro-bbf
SpectraBase Compound ID DM8OfU9KpBv
InChI InChI=1S/C20H16/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-4,6-9,12,18H,5,10-11H2
InChIKey CKBLRIYWKAIEMT-UHFFFAOYSA-N
Mol Weight 256.35 g/mol
Molecular Formula C20H16
Exact Mass 256.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxFpBa8YUyL
Name 1,2,3,3a-tetrahydro-bbf
Alternate Name(s) 1,2,3,3a-tetrahydrobenzo[e]acephenanthrylene
CAS Registry Number 100516-11-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16
InChI InChI=1S/C20H16/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-4,6-9,12,18H,5,10-11H2
InChIKey CKBLRIYWKAIEMT-UHFFFAOYSA-N
Molecular Weight 256.348 g/mol
SMILES c12c3-c4ccccc4C2CCCc1c1ccccc1c3
SPLASH splash10-0a6r-0090000000-ff082191ab6132c73e93
Source of Spectrum J-51-1208-15
Wiley ID 1260428