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5-Isopropyl-1'-hydroxy-2'-methyl-4,6-dioxa-pyrido-cycloheptene
SpectraBase Compound ID 2ruG8fYT0J6
InChI InChI=1S/C12H17NO3/c1-7(2)12-15-5-9-4-13-8(3)11(14)10(9)6-16-12/h4,7,12,14H,5-6H2,1-3H3
InChIKey JTDBGJWBSDBUQB-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7C8SehBWGn
Name 3-Isopropyl-8-methyl-1,5-dihydro[1,3]dioxepino[5,6-c]pyridin-9-ol
CAS Registry Number 1622-67-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-7(2)12-15-5-9-4-13-8(3)11(14)10(9)6-16-12/h4,7,12,14H,5-6H2,1-3H3
InChIKey JTDBGJWBSDBUQB-UHFFFAOYSA-N
Molecular Weight 223.272 g/mol
SMILES Oc1c2c(cnc1C)COC(OC2)C(C)C
SPLASH splash10-0kal-9800000000-166190090810734904cb
Source of Spectrum AD-0-2532-0
Synonyms 1,5-Dihydro-3-isopropyl-8-methyl-(1,3)dioxepino(5,6-c)pyridin-9-ol 8-Methyl-3-propan-2-yl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol Pyrido[3,4-E]-1,3-dioxocane, 9-hydroxy-3-isopropyl-8-methyl- [1,3]Dioxepino[5,6-c]pyridin-9-ol, 1,5-dihydro-8-methyl-3-(1-methylethyl)- EINECS 216-598-3
Wiley ID 1421400