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3-ACETOXY-5-ISOPROPYL-2-METHYL-PHENOL
SpectraBase Compound ID 6xfDaMxL0ZA
InChI InChI=1S/C12H16O3/c1-7(2)10-5-11(14)8(3)12(6-10)15-9(4)13/h5-7,14H,1-4H3
InChIKey DDGJOJNLEZAWID-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GU4f8IxHdlF
Name 1,3-Benzenediol, 2-methyl-5-(1-methylethyl)-, monoacetate
Alternate Name(s) 3-Acetoxy-5-isopropyl-2-methylphenol 3-Hydroxy-5-isopropyl-2-methylphenyl acetate
CAS Registry Number 113105-43-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-7(2)10-5-11(14)8(3)12(6-10)15-9(4)13/h5-7,14H,1-4H3
InChIKey DDGJOJNLEZAWID-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES Oc1c(c(cc(c1)C(C)C)OC(=O)C)C
SPLASH splash10-0uxu-6900000000-656034754b362566df19
Source of Spectrum B-40-339-9
Wiley ID 1206933