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c-tetrahedro-4',5',6',7'-spiro[2-methylcyclopentane-1,1'-3H-isobenzofuran]-3'-one
SpectraBase Compound ID BF2WxG1Jyrn
InChI InChI=1S/C13H18O2/c1-9-5-4-8-13(9)11-7-3-2-6-10(11)12(14)15-13/h2-3,9-11H,4-8H2,1H3/t9?,10-,11+,13?/m0/s1
InChIKey JDOCWENRPMKCNW-PCQVFGIUSA-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 2D9soEfLfER
Name c-tetrahedro-4',5',6',7'-spiro[2-methylcyclopentane-1,1'-3H-isobenzofuran]-3'-one
Alternate Name(s) (3aS,7aR)-2'-methyl-3a,4,7,7a-tetrahydro-3H-spiro[2-benzofuran-1,1'-cyclopentane]-3-one
CAS Registry Number 123872-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9-5-4-8-13(9)11-7-3-2-6-10(11)12(14)15-13/h2-3,9-11H,4-8H2,1H3/t9?,10-,11+,13?/m0/s1
InChIKey JDOCWENRPMKCNW-PCQVFGIUSA-N
Molecular Weight 206.285 g/mol
SMILES C12(OC([C@]3(CC=CC[C@@]23[H])[H])=O)C(CCC1)C
SPLASH splash10-004i-9300000000-02a4b9b61ace0a667031
Source of Spectrum F-45-2536-14
Wiley ID 1204723