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2(4H)-Benzofuranone, 5-(acetyloxy)-5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, trans-
SpectraBase Compound ID 1UZJ3mOFRMg
InChI InChI=1S/C13H18O4/c1-8(14)16-10-5-6-13(4)9(12(10,2)3)7-11(15)17-13/h7,10H,5-6H2,1-4H3/t10-,13+/m1/s1
InChIKey KOSPWIWLWRGWOU-MFKMUULPSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6q6wxFAPK8n
Name 2(4H)-Benzofuranone, 5-(acetyloxy)-5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, trans-
Alternate Name(s) (3R*.6S*)-[2,2,6-trimethyl-8-oxo-7-oxabicyclo[4.3.0]non-9-en-3-yl]acetate (5R,7aS)-4,4,7a-trimethyl-2-oxo-2,4,5,6,7,7a-hexahydro-1-benzofuran-5-yl acetate
CAS Registry Number 85198-07-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-8(14)16-10-5-6-13(4)9(12(10,2)3)7-11(15)17-13/h7,10H,5-6H2,1-4H3/t10-,13+/m1/s1
InChIKey KOSPWIWLWRGWOU-MFKMUULPSA-N
Molecular Weight 238.283 g/mol
SMILES C1=2[C@@](OC(C2)=O)(CC[C@](C1(C)C)(OC(=O)C)[H])C
SPLASH splash10-0007-5900000000-2c3671e4ec492cf81d64
Source of Spectrum H-65-2370-0
Wiley ID 1240479