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Benz-3-apocarene
SpectraBase Compound ID CgLpzBhHFvn
InChI InChI=1S/C13H16/c1-13(2)11-7-9-5-3-4-6-10(9)8-12(11)13/h3-6,11-12H,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKey UHSLRUJMBCBCLR-RYUDHWBXSA-N
Mol Weight 172.27 g/mol
Molecular Formula C13H16
Exact Mass 172.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42qM0PBsYIg
Name Benz-3-apocarene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-13(2)11-7-9-5-3-4-6-10(9)8-12(11)13/h3-6,11-12H,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKey UHSLRUJMBCBCLR-RYUDHWBXSA-N
Molecular Weight 172.271 g/mol
SMILES [C@@]12([C@@](Cc3c(C2)cccc3)([H])C1(C)C)[H]
SPLASH splash10-004i-2900000000-84cd2dbf41dc560e93db
Source of Spectrum F-50-13195-41
Synonyms (1aS,7aS)-1,1-Dimethyl-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene 2,2-Dimethyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene
Wiley ID 790134