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3-Buten-1-ol, 3-methyl-, benzoate
SpectraBase Compound ID HbDLEfIylKM
InChI InChI=1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
InChIKey BBTRQSDRTFFNSW-UHFFFAOYSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWGkstNxLAj
Name 3-Buten-1-ol, 3-methyl-, benzoate
Alternate Name(s) 3-Methyl-3-butenyl benzoate 3-Methylbut-3-enyl benzoate benzoic acid 3-methylbut-3-enyl ester
CAS Registry Number 5205-12-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
InChIKey BBTRQSDRTFFNSW-UHFFFAOYSA-N
Molecular Weight 190.242 g/mol
SMILES c1cc(ccc1)C(=O)OCCC(C)=C
SPLASH splash10-066r-9300000000-2bd9ee1e5f9adeb3a15e
Wiley ID 1485670