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Crinan
SpectraBase Compound ID LaM28xIRXJl
InChI InChI=1S/C16H19NO2/c1-2-4-16-5-6-17(15(16)3-1)9-11-7-13-14(8-12(11)16)19-10-18-13/h7-8,15H,1-6,9-10H2
InChIKey BTBHTKZYHPDQSN-UHFFFAOYSA-N
Mol Weight 257.33 g/mol
Molecular Formula C16H19NO2
Exact Mass 257.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HgijEkULHX
Name Crinan
Alternate Name(s) (+,-)-Crinane 1H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine, 2,3,4,4a-tetrahydro-, [4aR-(4a.alpha.,5.beta.,11b.beta.)]- Crinane
CAS Registry Number 510-70-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO2
InChI InChI=1S/C16H19NO2/c1-2-4-16-5-6-17(15(16)3-1)9-11-7-13-14(8-12(11)16)19-10-18-13/h7-8,15H,1-6,9-10H2
InChIKey BTBHTKZYHPDQSN-UHFFFAOYSA-N
Molecular Weight 257.333 g/mol
SMILES c1c2CN3CCC4(CCCCC34)c2cc2c1OCO2
SPLASH splash10-0a4i-1390000000-203f19e265cbca1d87e1
Source of Spectrum F-52-3115-1
Wiley ID 795369