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1-Benzyl-1-(1,4-dioxa-spiro[4.11]hexadec-2-ylmethyl)-piperidinium chloride
SpectraBase Compound ID 6owJXkbvyDj
InChI InChI=1S/C27H44NO2.ClH/c1-2-4-6-12-18-27(19-13-7-5-3-1)29-24-26(30-27)23-28(20-14-9-15-21-28)22-25-16-10-8-11-17-25;/h8,10-11,16-17,26H,1-7,9,12-15,18-24H2;1H/q+1;/p-1
InChIKey OQGLKKWIGYQBTI-UHFFFAOYSA-M
Mol Weight 450.1 g/mol
Molecular Formula C27H44ClNO2
Exact Mass 449.306057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lus37BZh2wm
Name 1-Benzyl-1-(1,4-dioxa-spiro[4.11]hexadec-2-ylmethyl)-piperidinium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44ClNO2
InChI InChI=1S/C27H44NO2.ClH/c1-2-4-6-12-18-27(19-13-7-5-3-1)29-24-26(30-27)23-28(20-14-9-15-21-28)22-25-16-10-8-11-17-25;/h8,10-11,16-17,26H,1-7,9,12-15,18-24H2;1H/q+1;/p-1
InChIKey OQGLKKWIGYQBTI-UHFFFAOYSA-M
Molecular Weight 450.107 g/mol
SMILES [Cl-].C1CCCCCC2(CCCCC1)OC(CO2)C[N+]1(Cc2ccccc2)CCCCC1
SPLASH splash10-0002-9321000000-540b13df502e5ed4a35e
Synonyms 1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)-1-(phenylmethyl)piperidin-1-ium chloride 1-Benzyl-1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidin-1-ium chloride 1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)-1-(phenylmethyl)piperidin-1-ium;chloride
Wiley ID 1446756