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3,3a,4,6a-Tetrahydro-1(2H)-pentalenone
SpectraBase Compound ID 6q6XacHm4Tx
InChI InChI=1S/C8H10O/c9-8-5-4-6-2-1-3-7(6)8/h1,3,6-7H,2,4-5H2
InChIKey HMMDXMOYKXSSQU-UHFFFAOYSA-N
Mol Weight 122.17 g/mol
Molecular Formula C8H10O
Exact Mass 122.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ToPYAQVbki
Name 3,3a,4,6a-Tetrahydro-1(2H)-pentalenone
Alternate Name(s) 1(2H)-Pentalenone, 3,3a,4,6a-tetrahydro- 3,3a,4,6a-tetrahydro-2H-pentalen-1-one
CAS Registry Number 56138-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O
InChI InChI=1S/C8H10O/c9-8-5-4-6-2-1-3-7(6)8/h1,3,6-7H,2,4-5H2
InChIKey HMMDXMOYKXSSQU-UHFFFAOYSA-N
Molecular Weight 122.167 g/mol
SMILES C12C(CCC2CC=C1)=O
SPLASH splash10-00or-9100000000-fe8affbd192e77fa7779
Source of Spectrum HE-1986-1728-0
Wiley ID 1128132