For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Brexan-2-one
SpectraBase Compound ID Llr2gUHbeHh
InChI InChI=1S/C9H12O/c10-9-7-3-1-5-6(7)2-4-8(5)9/h5-8H,1-4H2/t5-,6-,7+,8+/m0/s1
InChIKey XTMURYMNIFJGOC-RULNZFCNSA-N
Mol Weight 136.19 g/mol
Molecular Formula C9H12O
Exact Mass 136.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID oLzNscruQu
Name Brexan-2-one
CAS Registry Number 1703-78-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O
InChI InChI=1S/C9H12O/c10-9-7-3-1-5-6(7)2-4-8(5)9/h5-8H,1-4H2/t5-,6-,7+,8+/m0/s1
InChIKey XTMURYMNIFJGOC-RULNZFCNSA-N
Molecular Weight 136.194 g/mol
SMILES C1([C@]2([C@@]3([C@@]([C@]1(CC3)[H])(CC2)[H])[H])[H])=O
SPLASH splash10-017i-9000000000-7b224d1e6224badebcb7
Source of Spectrum J-43-3909-0
Synonyms Tricyclo[4.3.0.0(3,7)]nonan-2-one
Wiley ID 1136555