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Benzo[a]cyclopropa[cd]pentalene-6c(1H)-carbonitrile, 2,2a,2b,6b-tetrahydro-2b-methyl-
SpectraBase Compound ID 4UjCmiXQtZn
InChI InChI=1S/C14H13N/c1-13-10-5-3-2-4-9(10)11-6-7-12(13)14(11,13)8-15/h2-5,11-12H,6-7H2,1H3/t11?,12-,13+,14?/m1/s1
InChIKey HTCSPYOYTZGNHN-DKNRTOFZSA-N
Mol Weight 195.26 g/mol
Molecular Formula C14H13N
Exact Mass 195.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtKrzBC0Sod
Name Benzo[a]cyclopropa[cd]pentalene-6c(1H)-carbonitrile, 2,2a,2b,6b-tetrahydro-2b-methyl-
CAS Registry Number 117461-29-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N
InChI InChI=1S/C14H13N/c1-13-10-5-3-2-4-9(10)11-6-7-12(13)14(11,13)8-15/h2-5,11-12H,6-7H2,1H3/t11?,12-,13+,14?/m1/s1
InChIKey HTCSPYOYTZGNHN-DKNRTOFZSA-N
Molecular Weight 195.265 g/mol
SMILES C12([C@]3(c4ccccc4C2CC[C@@]13[H])C)C#N
SPLASH splash10-014i-0900000000-90fb8c3b1c4859093b82
Source of Spectrum F-44-78-5
Synonyms 1-Cyano-2-methyl-3,4-benzotricyclo[3.3.0.0(2,8)]octene 2b-methyl-2,2a,2b,6b-tetrahydrobenzo[a]cyclopropa[cd]pentalene-6c(1H)-carbonitrile
Wiley ID 1192340