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(+)-3-benzyldicyclopentadiene
SpectraBase Compound ID 29SEUvEJnzZ
InChI InChI=1S/C17H18/c1-2-4-12(5-3-1)10-14-8-9-16-13-6-7-15(11-13)17(14)16/h1-8,13,15-17H,9-11H2/t13-,15+,16-,17+/m1/s1
InChIKey DYFDSVCBPJTVHH-XBVQOTNRSA-N
Mol Weight 222.33 g/mol
Molecular Formula C17H18
Exact Mass 222.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5A63J7FcMkG
Name (+)-3-benzyldicyclopentadiene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18
InChI InChI=1S/C17H18/c1-2-4-12(5-3-1)10-14-8-9-16-13-6-7-15(11-13)17(14)16/h1-8,13,15-17H,9-11H2/t13-,15+,16-,17+/m1/s1
InChIKey DYFDSVCBPJTVHH-XBVQOTNRSA-N
Literature Reference DOI 10.1021/ol101531r
Molecular Weight 222.331 g/mol
SMILES C1=C[C@@]2(C[C@@]1([H])[C@]1([C@@]2(CC=C1Cc1ccccc1)[H])[H])[H]
SPLASH splash10-0a4i-2900000000-be46a66d7764051ce84e
Source of Spectrum A1-12-3820/SMS4-14
Synonyms (3aS,4R,7S,7aR)-3-benzyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene
Wiley ID 1752465