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1-deutero-3,4-benzotricyclo[3.2.0.0.(2,8)]octene
SpectraBase Compound ID Ughem4gPuW
InChI InChI=1S/C12H12/c1-2-4-9-7(3-1)5-8-6-10-11(8)12(9)10/h1-4,8,10-12H,5-6H2/t8?,10-,11?,12-/m0/s1/i11D
InChIKey DXMZFSTVPSLKAV-RKVSCGFDSA-N
Mol Weight 157.23 g/mol
Molecular Formula C12H11D
Exact Mass 157.100177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrZKYuSSk3k
Name 1-deutero-3,4-benzotricyclo[3.2.0.0.(2,8)]octene
CAS Registry Number 129956-32-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11D
InChI InChI=1S/C12H12/c1-2-4-9-7(3-1)5-8-6-10-11(8)12(9)10/h1-4,8,10-12H,5-6H2/t8?,10-,11?,12-/m0/s1/i11D
InChIKey DXMZFSTVPSLKAV-RKVSCGFDSA-N
Molecular Weight 157.234 g/mol
SMILES C12([C@]3(c4ccccc4CC2C[C@@]13[H])[H])[D]
SPLASH splash10-004i-0900000000-3a3ee5d5b5a7ba4f8e30
Source of Spectrum F-46-3839-26
Wiley ID 1154446