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(1R,3S)-1,2,2-trimethyl-3-[oxo-[[(1S)-1-phenylethyl]amino]methyl]-1-cyclopentanecarboxylic acid
SpectraBase Compound ID H9sQq7iXzye
InChI InChI=1S/C18H25NO3/c1-12(13-8-6-5-7-9-13)19-15(20)14-10-11-18(4,16(21)22)17(14,2)3/h5-9,12,14H,10-11H2,1-4H3,(H,19,20)(H,21,22)/t12-,14+,18-/m0/s1
InChIKey DJKAHODAMHQADM-WRSAYESZSA-N
Mol Weight 303.4 g/mol
Molecular Formula C18H25NO3
Exact Mass 303.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RuNSR2AWGQ
Name (1R,3S)-1,2,2-trimethyl-3-[oxo-[[(1S)-1-phenylethyl]amino]methyl]-1-cyclopentanecarboxylic acid
CAS Registry Number 78808-24-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO3
InChI InChI=1S/C18H25NO3/c1-12(13-8-6-5-7-9-13)19-15(20)14-10-11-18(4,16(21)22)17(14,2)3/h5-9,12,14H,10-11H2,1-4H3,(H,19,20)(H,21,22)/t12-,14+,18-/m0/s1
InChIKey DJKAHODAMHQADM-WRSAYESZSA-N
Molecular Weight 303.402 g/mol
SMILES OC([C@]1(C([C@@](C(N[C@](c2ccccc2)(C)[H])=O)(CC1)[H])(C)C)C)=O
SPLASH splash10-052f-9851000000-b3a3b919f283290a65a5
Source of Spectrum B-34-669-0
Synonyms (1R,3S)-1,2,2-trimethyl-3-[[(1S)-1-phenylethyl]carbamoyl]cyclopentane-1-carboxylic acid (1R,3S)-1,2,2-trimethyl-3-[[(1S)-1-phenylethyl]carbamoyl]cyclopentanecarboxylic acid
Wiley ID 1305714