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1-Pentalenecarboxaldehyde, 3,3a,4,5,6,6a-hexahydro-2,5,5-trimethyl-3-oxo-, cis-(.+-.)-
SpectraBase Compound ID Ktqc6JEPkS
InChI InChI=1S/C12H16O2/c1-7-10(6-13)8-4-12(2,3)5-9(8)11(7)14/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKey PASFQHMQXVISFN-BDAKNGLRSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93L4Hb8ULgO
Name 1-Pentalenecarboxaldehyde, 3,3a,4,5,6,6a-hexahydro-2,5,5-trimethyl-3-oxo-, cis-(.+-.)-
CAS Registry Number 123675-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-7-10(6-13)8-4-12(2,3)5-9(8)11(7)14/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKey PASFQHMQXVISFN-BDAKNGLRSA-N
Molecular Weight 192.258 g/mol
SMILES C1(=C(C(=O)[C@@]2([C@]1(CC(C)(C)C2)[H])[H])C)C=O
SPLASH splash10-00di-0900000000-e0a867c2472661933a3e
Source of Spectrum C-112-777-12
Synonyms (3aS,6aR)-2,5,5-trimethyl-3-oxo-3,3a,4,5,6,6a-hexahydro-1-pentalenecarbaldehyde 4-Formyl-3,7,7-trimethylbicyclo[3.3.0]oct-3-en-2-one
Wiley ID 1188764