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3,3-Dicyclopentyl-isobenzofuran-1(3H)-one
SpectraBase Compound ID BRVAWk7vluc
InChI InChI=1S/C18H22O2/c19-17-15-11-5-6-12-16(15)18(20-17,13-7-1-2-8-13)14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2
InChIKey QNJVVIJIMQBNMT-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGw09X3rBDC
Name 1(3H)-Isobenzofuranone, 3,3-dicyclopentyl-
Alternate Name(s) 3,3-Dicyclopentyl-(3H)-isobenzofuran-1-one 3,3-Dicyclopentyl-2-benzofuran-1(3H)-one
CAS Registry Number 104030-28-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c19-17-15-11-5-6-12-16(15)18(20-17,13-7-1-2-8-13)14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2
InChIKey QNJVVIJIMQBNMT-UHFFFAOYSA-N
Molecular Weight 270.372 g/mol
SMILES C1(OC(=O)c2c1cccc2)(C1CCCC1)C1CCCC1
SPLASH splash10-0udi-0390000000-102a8db3b68f484566e8
Source of Spectrum F-44-2911-38
Wiley ID 1274790