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2H-Pyrrol-4-ol, 3,4-dihydro-2,2,3,5-tetramethyl-, benzoate (ester), trans-
SpectraBase Compound ID HnkAK2od0Es
InChI InChI=1S/C15H19NO2/c1-10-13(11(2)16-15(10,3)4)18-14(17)12-8-6-5-7-9-12/h5-10,13H,1-4H3/t10-,13-/m1/s1
InChIKey MDVIFYPDMQCGFH-ZWNOBZJWSA-N
Mol Weight 245.32 g/mol
Molecular Formula C15H19NO2
Exact Mass 245.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZQcQfGhiqC
Name 2H-Pyrrol-4-ol, 3,4-dihydro-2,2,3,5-tetramethyl-, benzoate (ester), trans-
Alternate Name(s) (3S,4R)-2,2,3,5-tetramethyl-3,4-dihydro-2H-pyrrol-4-yl benzoate 3-Benzoyloxy-2,4,5,5-tetramethyl-2H-pyrrole
CAS Registry Number 122546-91-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO2
InChI InChI=1S/C15H19NO2/c1-10-13(11(2)16-15(10,3)4)18-14(17)12-8-6-5-7-9-12/h5-10,13H,1-4H3/t10-,13-/m1/s1
InChIKey MDVIFYPDMQCGFH-ZWNOBZJWSA-N
Molecular Weight 245.322 g/mol
SMILES C1(N=C([C@@]([C@]1(C)[H])(OC(=O)c1ccccc1)[H])C)(C)C
SPLASH splash10-0ac0-3900000000-854ab1915291623617fd
Source of Spectrum B-42-76-3
Wiley ID 1248110