2-[(1S,4S,5S)-4-(Hydroxymethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-1-(1-pyrrolidinyl)ethanone

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Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-(Hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-1-pyrrolidin-1-ylethanone

ID: Reference10916

Other Names: Ethanone, 2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]-1-(1-pyrrolidinyl)-;
NAT28-410080

Formula: C17H29NO2

Spectral Data

2-[(1S,4S,5S)-4-(Hydroxymethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-1-(1-pyrrolidinyl)ethanone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1938
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/4/2021 12:43:30 PM
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Identificators

InChI InChI=1S/C17H29NO2/c1-12(2)16-9-14(13(3)8-15(16)11-19)10-17(20)18-6-4-5-7-18/h8,12,14-16,19H,4-7,9-11H2,1-3H3/t14-,15-,16-/m0/s1
InChI Key KXDPCDWIKHFAHD-JYJNAYRXSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCCC2)C(C)C)CO
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Other Names Ethanone, 2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]-1-(1-pyrrolidinyl)-;
NAT28-410080

In Other Databases

ChemSpider 22937402
PubChem 38030183