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5,10-(Epoxymethano)-5H-dibenzo[a,d]cycloheptene-11-carbonitrile, 10,11-dihydro-, [5S-(5.alpha.,10.alpha.,11.beta.)]-
SpectraBase Compound ID 94XLrWRc60M
InChI InChI=1S/C17H13NO/c18-9-15-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)16(15)10-19-17/h1-8,15-17H,10H2/t15-,16-,17-/m1/s1
InChIKey LSTFHLGTDMQHFO-BRWVUGGUSA-N
Mol Weight 247.3 g/mol
Molecular Formula C17H13NO
Exact Mass 247.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6x1bDnsXMCP
Name 5,10-(Epoxymethano)-5H-dibenzo[a,d]cycloheptene-11-carbonitrile, 10,11-dihydro-, [5S-(5.alpha.,10.alpha.,11.beta.)]-
CAS Registry Number 115474-89-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO
InChI InChI=1S/C17H13NO/c18-9-15-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)16(15)10-19-17/h1-8,15-17H,10H2/t15-,16-,17-/m1/s1
InChIKey LSTFHLGTDMQHFO-BRWVUGGUSA-N
Molecular Weight 247.297 g/mol
SMILES [C@]12(c3c(cccc3)[C@](CO1)([H])[C@@](c1c2cccc1)(C#N)[H])[H]
SPLASH splash10-014j-0190000000-3f00cc3a3a71b91e95f0
Source of Spectrum F-43-4965-63
Synonyms (1R,8S,9S)-16-oxatetracyclo[7.6.2.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaene-8-carbonitrile (5S,10R,11R)-(10,11-dihydro-5H-5,10-oxaethano-dibenzo[a,d]cyclohepten-11-yl)-nitrile
Wiley ID 1250282