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3,6-Dimethyl-3-(endo)-methoxy-3a,4,5,7a-tetrahydro-1(3H)-isobenzofuranone

View entire compound with spectra: 1 MS (GC)

3,6-Dimethyl-3-(endo)-methoxy-3a,4,5,7a-tetrahydro-1(3H)-isobenzofuranone
SpectraBase Compound ID FNs8IPuvbO1
InChI InChI=1S/C11H16O3/c1-7-4-5-9-8(6-7)10(12)14-11(9,2)13-3/h6,8-9H,4-5H2,1-3H3/t8-,9+,11+/m0/s1
InChIKey OQPCRRQLRAVHBA-IQJOONFLSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2g0SSSWi8dz
Name 3,6-Dimethyl-3-(endo)-methoxy-3a,4,5,7a-tetrahydro-1(3H)-isobenzofuranone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-7-4-5-9-8(6-7)10(12)14-11(9,2)13-3/h6,8-9H,4-5H2,1-3H3/t8-,9+,11+/m0/s1
InChIKey OQPCRRQLRAVHBA-IQJOONFLSA-N
Molecular Weight 196.246 g/mol
SMILES [C@@]1(OC([C@]2(C=C(CC[C@@]12[H])C)[H])=O)(OC)C
SPLASH splash10-0a4u-5900000000-3e541333cb5afb31d8d2
Source of Spectrum SK-21-330-2
Synonyms (3R,3aR,7aS)-3,6-Dimethyl-3-(endo)-methoxy-3a,4,5,7a-tetrahydro-1(3H)-isobenzofuranone 3-Methoxy-3,6-dimethyl-3a,4,5,7a-tetrahydro-2-benzofuran-1(3H)-one
Wiley ID 851758