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1(3H)-Isobenzofuranone, 3-cyclopentyl-3a,4,7,7a-tetrahydro-, (3.alpha.,3a.alpha.,7a.alpha.)-
SpectraBase Compound ID 75A897e1De1
InChI InChI=1S/C13H18O2/c14-13-11-8-4-3-7-10(11)12(15-13)9-5-1-2-6-9/h3-4,9-12H,1-2,5-8H2/t10-,11+,12+/m0/s1
InChIKey CFVCWBJMKIVXEX-QJPTWQEYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AKq2sJHlK2
Name 1(3H)-Isobenzofuranone, 3-cyclopentyl-3a,4,7,7a-tetrahydro-, (3.alpha.,3a.alpha.,7a.alpha.)-
CAS Registry Number 97181-91-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c14-13-11-8-4-3-7-10(11)12(15-13)9-5-1-2-6-9/h3-4,9-12H,1-2,5-8H2/t10-,11+,12+/m0/s1
InChIKey CFVCWBJMKIVXEX-QJPTWQEYSA-N
Molecular Weight 206.285 g/mol
SMILES C1(O[C@@]([C@]2(CC=CC[C@@]12[H])[H])(C1CCCC1)[H])=O
SPLASH splash10-004i-9000000000-d9268fb9529b96aa5c08
Source of Spectrum F-41-3702-13
Synonyms (3R,3aS,7aR)-3-cyclopentyl-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one cis (3,3a)-3-cyclopentyl-cis(3a,7a)-3a,4,7,7a-tetrahydro-3(H)-isobenzofuran-1-one
Wiley ID 1204716