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1-Propanol, 2,2-dimethyl-, benzoate
SpectraBase Compound ID 6Jotbqc0hRM
InChI InChI=1S/C12H16O2/c1-12(2,3)9-14-11(13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey ZBPDCWGVJKTGND-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KIPLyC90Cco
Name 1-Propanol, 2,2-dimethyl-, benzoate
CAS Registry Number 3581-70-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-12(2,3)9-14-11(13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey ZBPDCWGVJKTGND-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES CC(COC(=O)c1ccccc1)(C)C
SPLASH splash10-0a4i-9500000000-0be9b9c51ff72c504519
Source of Spectrum W5-14074-0-0
Synonyms Neopentyl benzoate 2,2-Dimethylpropyl benzoate benzoic acid 2,2-dimethylpropyl ester benzoic acid neopentyl ester
Wiley ID 1188532