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Bicyclo[4.1.0]heptane, 2-phenyl-, (1.alpha.,2.alpha.,6.alpha.)-
SpectraBase Compound ID GRZ0wHnpolj
InChI InChI=1S/C13H16/c1-2-5-10(6-3-1)12-8-4-7-11-9-13(11)12/h1-3,5-6,11-13H,4,7-9H2/t11-,12-,13+/m0/s1
InChIKey QPGSQTNMWANBEN-RWMBFGLXSA-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 1gvd5AEuRSj
Name Bicyclo[4.1.0]heptane, 2-phenyl-, (1.alpha.,2.alpha.,6.alpha.)-
CAS Registry Number 57431-41-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-2-5-10(6-3-1)12-8-4-7-11-9-13(11)12/h1-3,5-6,11-13H,4,7-9H2/t11-,12-,13+/m0/s1
InChIKey QPGSQTNMWANBEN-RWMBFGLXSA-N
Molecular Weight 172.271 g/mol
SMILES [C@@]12(C[C@@]2(CCC[C@]1(c1ccccc1)[H])[H])[H]
SPLASH splash10-0gdl-2900000000-439b3fee30e4aac8c605
Source of Spectrum H-63-603-38
Synonyms (1R,2R,6S)-2-phenylbicyclo[4.1.0]heptane trans-2-phenylbicyclo[4.1.0]heptane
Wiley ID 1169500