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1-Propanol, 2,2-dimethyl-, 4-nitrobenzoate
SpectraBase Compound ID LGdJxZmhNHz
InChI InChI=1S/C12H15NO4/c1-12(2,3)8-17-11(14)9-4-6-10(7-5-9)13(15)16/h4-7H,8H2,1-3H3
InChIKey OKBJGMCNFJRTJG-UHFFFAOYSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VggJB3nZr1
Name 1-Propanol, 2,2-dimethyl-, 4-nitrobenzoate
CAS Registry Number 3581-73-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-12(2,3)8-17-11(14)9-4-6-10(7-5-9)13(15)16/h4-7H,8H2,1-3H3
InChIKey OKBJGMCNFJRTJG-UHFFFAOYSA-N
Molecular Weight 237.255 g/mol
SMILES CC(C)(C)COC(c1ccc(cc1)N(=O)=O)=O
SPLASH splash10-0pb9-9300000000-180b6b04a9fd44997ce0
Source of Spectrum AD-0-4786-0
Synonyms 1-Propanol, 2,2-dimethyl-, p-nitrobenzoate Neopentyl 4-nitrobenzoate 2,2-Dimethylpropyl 4-nitrobenzoate 4-Nitrobenzoic acid 2,2-dimethylpropyl ester 4-Nitrobenzoic acid neopentyl ester
Wiley ID 1239425