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1,1,2-tribrom[2.2]paracyclophan
SpectraBase Compound ID 3s22T95M3jd
InChI InChI=1S/C16H13Br3/c17-15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(15,18)19/h3-10,15H,1-2H2
InChIKey XLYITKRVZRJOIO-UHFFFAOYSA-N
Mol Weight 444.99 g/mol
Molecular Formula C16H13Br3
Exact Mass 441.856739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxaiqeFNeKu
Name 1,1,2-tribrom[2.2]paracyclophan
Alternate Name(s) 2,2,3-tribromotricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene
CAS Registry Number 100703-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13Br3
InChI InChI=1S/C16H13Br3/c17-15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(15,18)19/h3-10,15H,1-2H2
InChIKey XLYITKRVZRJOIO-UHFFFAOYSA-N
Molecular Weight 444.992 g/mol
SMILES C1(C(c2ccc(cc2)CCc2ccc1cc2)Br)(Br)Br
SPLASH splash10-03e9-0292300000-18b31198d66f678571d9
Source of Spectrum K-119-1840-7
Wiley ID 1385176