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5,9-Ethano-5H-benzocycloheptene, 6,7,8,9-tetrahydro-
SpectraBase Compound ID 3uuQ78BjqSu
InChI InChI=1S/C13H16/c1-2-7-13-11-5-3-4-10(8-9-11)12(13)6-1/h1-2,6-7,10-11H,3-5,8-9H2
InChIKey LSQHBKKMMJNPRT-UHFFFAOYSA-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 HlZ5Q9Y0Q9K
Name 5,9-Ethano-5H-benzocycloheptene, 6,7,8,9-tetrahydro-
Alternate Name(s) 6,7-Benzobicyclo[3.2.2]nonene tricyclo[6.3.2.0(2,7)]trideca-2,4,6-triene
CAS Registry Number 35349-64-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-2-7-13-11-5-3-4-10(8-9-11)12(13)6-1/h1-2,6-7,10-11H,3-5,8-9H2
InChIKey LSQHBKKMMJNPRT-UHFFFAOYSA-N
Molecular Weight 172.271 g/mol
SMILES c12c(C3CCCC2CC3)cccc1
SPLASH splash10-004i-0900000000-ff0a59b6086d6b1d7dae
Source of Spectrum F-46-3837-49
Wiley ID 1169513