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5,10[1',2']-Benzeno-1H-dibenzo[a,d]cycloheptene, 5-chloro-2,3,5,10-tetrahydro-
SpectraBase Compound ID FsaqqbLT2UM
InChI InChI=1S/C21H17Cl/c22-21-18-10-4-1-7-14(18)13-17(15-8-2-5-11-19(15)21)16-9-3-6-12-20(16)21/h2-3,5-6,8-14H,1,4,7H2
InChIKey FBRGOVSWHIEASZ-UHFFFAOYSA-N
Mol Weight 304.82 g/mol
Molecular Formula C21H17Cl
Exact Mass 304.101878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Nix1LI1QPE
Name 5,10[1',2']-Benzeno-1H-dibenzo[a,d]cycloheptene, 5-chloro-2,3,5,10-tetrahydro-
Alternate Name(s) 1-Chlorodibenzo[j,m]tricyclo[7.2.2.0(2,7)]trideca-2,7,10,12-tetraene 1-chloropentacyclo[7.6.6.0(2,7).0(10,15).0(16,21)]henicosa-2,8,10,12,14,16,18,20-octaene
CAS Registry Number 98229-77-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17Cl
InChI InChI=1S/C21H17Cl/c22-21-18-10-4-1-7-14(18)13-17(15-8-2-5-11-19(15)21)16-9-3-6-12-20(16)21/h2-3,5-6,8-14H,1,4,7H2
InChIKey FBRGOVSWHIEASZ-UHFFFAOYSA-N
Molecular Weight 304.820 g/mol
SMILES C12(c3c(cccc3)C(c3c1cccc3)=CC1C2=CCCC1)Cl
SPLASH splash10-0gb9-0097000000-b5d999f5743fc13e55f4
Source of Spectrum K-118-2904-7
Wiley ID 1306983