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5,9-Etheno-5H-benzocycloheptene-10-d, 6,7,8,9-tetrahydro-
SpectraBase Compound ID 7ZLqKZU0a5y
InChI InChI=1S/C13H14/c1-2-7-13-11-5-3-4-10(8-9-11)12(13)6-1/h1-2,6-11H,3-5H2/t10-,11+/i8D/m1/s1
InChIKey WJHBSGWBIGPUBG-PNGMAAJWSA-N
Mol Weight 171.26 g/mol
Molecular Formula C13H13D
Exact Mass 171.115827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgFXUuCwZrs
Name 5,9-Etheno-5H-benzocycloheptene-10-d, 6,7,8,9-tetrahydro-
CAS Registry Number 129956-30-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13D
InChI InChI=1S/C13H14/c1-2-7-13-11-5-3-4-10(8-9-11)12(13)6-1/h1-2,6-11H,3-5H2/t10-,11+/i8D/m1/s1
InChIKey WJHBSGWBIGPUBG-PNGMAAJWSA-N
Molecular Weight 171.261 g/mol
SMILES c12c([C@]3(CCC[C@@]1(C(=C3)[D])[H])[H])cccc2
SPLASH splash10-006x-0900000000-6a821aa0b88d1778ab19
Source of Spectrum F-46-3833-15
Synonyms 8-Deutero-6,7-benzobicyclo[3.2.2]6,8-nonadiene
Wiley ID 1167692