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4-.beta.-and 4.alpha.-methyl-1,3a.beta.,4,5,6,6a.beta.-hexahydropentalen-1-one
SpectraBase Compound ID 9o3E0XM8vx9
InChI InChI=1S/C9H12O/c1-6-2-3-8-7(6)4-5-9(8)10/h4-8H,2-3H2,1H3/t6?,7-,8+/m1/s1
InChIKey XWYTXMKBMLQUDT-VVXQKDJTSA-N
Mol Weight 136.19 g/mol
Molecular Formula C9H12O
Exact Mass 136.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZLeoMlUZ3J
Name 4-.beta.-and 4.alpha.-methyl-1,3a.beta.,4,5,6,6a.beta.-hexahydropentalen-1-one
CAS Registry Number 108585-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O
InChI InChI=1S/C9H12O/c1-6-2-3-8-7(6)4-5-9(8)10/h4-8H,2-3H2,1H3/t6?,7-,8+/m1/s1
InChIKey XWYTXMKBMLQUDT-VVXQKDJTSA-N
Molecular Weight 136.194 g/mol
SMILES C=1[C@]2([C@@](CCC2C)([H])C(C1)=O)[H]
SPLASH splash10-000i-9500000000-b10f18985ad22f4bdfd7
Source of Spectrum F-42-2828-23
Synonyms (3aS,6aS)-4-methyl-4,5,6,6a-tetrahydro-1(3aH)-pentalenone
Wiley ID 1136325