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4,5,6,6a,10',11'-hexahydrospiro{5'H-dibenzo[a,d]cycloheptene-5',3(3aH)-[4,5,6]methenocyclopentapyrazole}
SpectraBase Compound ID IPa4p99Vfli
InChI InChI=1S/C21H18N2/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)21(13)19-17-15-16(17)18(15)20(19)22-23-21/h1-8,15-20H,9-10H2
InChIKey VXTUQJYGBZHRGY-UHFFFAOYSA-N
Mol Weight 298.39 g/mol
Molecular Formula C21H18N2
Exact Mass 298.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75LWvBo105Q
Name 4,5,6,6a,10',11'-hexahydrospiro{5'H-dibenzo[a,d]cycloheptene-5',3(3aH)-[4,5,6]methenocyclopentapyrazole}
CAS Registry Number 118042-71-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2
InChI InChI=1S/C21H18N2/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)21(13)19-17-15-16(17)18(15)20(19)22-23-21/h1-8,15-20H,9-10H2
InChIKey VXTUQJYGBZHRGY-UHFFFAOYSA-N
Molecular Weight 298.389 g/mol
SMILES C12(C3C4C5C(C3N=N1)C45)c1c(CCc3c2cccc3)cccc1
SPLASH splash10-0006-0900000000-98b89bffe47c1e105019
Source of Spectrum K-122-700-5
Synonyms 8,9-diazaspiro[tetracyclo[4.3.0.0(2,4).0(3,5)]nonane-7,2'-tricyclo[9.4.0.0(3,8)]pentadecane]-1'(11'),3',5',7',8,12',14'-heptaene
Wiley ID 1301597