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1,2,5-Metheno-1H-benzo[a]cyclobuta[c]cycloheptene, 2,2a,5,9b-tetrahydro-
SpectraBase Compound ID 5Lht4jk0Pkf
InChI InChI=1S/C14H12/c1-2-4-8-7(3-1)9-5-6-10-11(8)14-12(9)13(10)14/h1-6,9-14H
InChIKey HMRYRMRNISJEHU-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C14H12
Exact Mass 180.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nU8DeiZgr0
Name 1,2,5-Metheno-1H-benzo[a]cyclobuta[c]cycloheptene, 2,2a,5,9b-tetrahydro-
CAS Registry Number 53179-30-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12
InChI InChI=1S/C14H12/c1-2-4-8-7(3-1)9-5-6-10-11(8)14-12(9)13(10)14/h1-6,9-14H
InChIKey HMRYRMRNISJEHU-UHFFFAOYSA-N
Molecular Weight 180.250 g/mol
SMILES C12C3C4C(C23)C=CC1c1c4cccc1
SPLASH splash10-004i-0900000000-68af433082026cac6d19
Source of Spectrum J-53-4124-7
Synonyms 2,2a,5,9b-tetrahydro-1,2,5-metheno-1H-benzo[a]cyclobuta[c]cycloheptene Pentacyclo[8.4.0.0(2,6).0(3,5).0(4,9)]tetradeca-1(14),7,10,12-tetraene
Wiley ID 1177137