Debug Info

object
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_id
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LiqWUDNDEzL
spectrumID
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LiqWUDNDEzL
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Mass Spectrum (GC)
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N-Benzyl-2-[2-(1,3-dioxan-2-yl)ethyl]azepane
SpectraBase Compound ID uT3RFRGxrl
InChI InChI=1S/C19H29NO2/c1-3-8-17(9-4-1)16-20-13-6-2-5-10-18(20)11-12-19-21-14-7-15-22-19/h1,3-4,8-9,18-19H,2,5-7,10-16H2
InChIKey NSVVBMKNVLESLX-UHFFFAOYSA-N
Mol Weight 303.45 g/mol
Molecular Formula C19H29NO2
Exact Mass 303.219829 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LiqWUDNDEzL
Name N-Benzyl-2-[2-(1,3-dioxan-2-yl)ethyl]azepane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29NO2
InChI InChI=1S/C19H29NO2/c1-3-8-17(9-4-1)16-20-13-6-2-5-10-18(20)11-12-19-21-14-7-15-22-19/h1,3-4,8-9,18-19H,2,5-7,10-16H2
InChIKey NSVVBMKNVLESLX-UHFFFAOYSA-N
Instrument Name Shimadzu QP-5000
Ionization Type EI
Literature Reference DOI 10.1021/np068034t
Molecular Weight 303.446 g/mol
Reported Formula C19H29NO2
SMILES c1(ccccc1)CN1C(CCCCC1)CCC1OCCCO1
SPLASH splash10-000l-7900000000-17a2c992a4d257f60548
Source of Spectrum G4-70-166-13
Wiley ID 1874417
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